Items where Division is "University of Nottingham, UK > Faculty of Science > School of Chemistry"

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Number of items at this level: 557.

2019

Enujekwu, Francis M., Ezeh, Collins I., George, Michael W., Xu, Mengxia, Do, Hainam, Zhang, Yue, Zhao, Haitao and Wu, Tao (2019) A comparative study of mechanisms of the adsorption of CO2 confined within graphene–MoS2 nanosheets: a DFT trend study. Nanoscale Advances . ISSN 2516-0230

Reimann, Sarah, Borgoo, Alex, Austad, Jon, Tellgren, Erik I., Teale, Andrew M., Helgaker, Trygve and Stopkowicz, Stella (2019) Kohn–Sham energy decomposition for molecules in a magnetic field. Molecular Physics, 117 (1). pp. 97-109. ISSN 1362-3028

2018

Alexander, W.H., Wickson, J., Duncan, J., Carmichael, K., Irvine, D.J. and Howdle, S.M. (2018) Synthesis and control of crosslinked poly(acrylic acid) based viscosity modifiers using dense phase carbon dioxide as a solvent. The Journal of Supercritical Fluids, 139 . pp. 38-44. ISSN 1872-8162

Aygün, Mehtap, Chamberlain, Thomas W., Gimenez-Lopez, Maria del Carmen and Khlobystov, Andrei N. (2018) Magnetically recyclable catalytic carbon nanoreactors. Advanced Functional Materials, 28 (34). 1802869/1-1802869/15. ISSN 1616-3028

Beckert, Julia, Vandeginste, Veerle, McKean, Tilden J., Alroichdi, Amer and John, Cedric M. (2018) Ground-based hyperspectral imaging as a tool to identify different carbonate phases in natural cliffs. International Journal of Remote Sensing, 39 (12). pp. 4088-4114. ISSN 0143-1161

Bolotov, Vsevolod A., Kovalenko, Konstantin A., Samsonenko, Denis G., Han, Xue, Zhang, Xinran, Smith, Gemma L., McCormick, Laura, Teat, Simon J., Yang, Sihai, Lennox, Matthew J., Henley, Alice, Besley, Elena, Fedin, Vladimir P., Dybtsev, Danil N. and Schröder, Martin (2018) Enhancement of CO2 uptake and selectivity in a metal-organic framework by incorporation of thiophene functionality. Inorganic Chemisry, 57 (9). pp. 5074-5082. ISSN 0020-1669

Bradford, Henry, Ryder, Amy, Henderson, Julian and Titman, Jeremy J. (2018) Structure of ancient glass by 29Si magic angle spinning NMR. Chemistry - A European Journal, 24 (29). pp. 7474-7479. ISSN 1521-3765

Buragohain, Mridusmita, Pathak, Amit, Sarre, Peter and Kishor Gour, Nand (2018) Interstellar dehydrogenated PAH anions: vibrational spectra. Monthly Notices of the Royal Astronomical Society, 474 (4). pp. 4594-4602. ISSN 1365-2966

Calatayud, David G., Ge, Haobo, Kuganathan, Navaratnarajah, Mirabello, Vincenz, Jacobs, Robert M.J., Rees, Nicholas H., Stoppiello, Craig T., Khlobystov, Andrei N., Tyrrell, Rex M., Da Como, Enrico and Pascu, Sofia I. (2018) Encapsulation of cadmium selenide nanocrystals in biocompatible nanotubes: DFT calculations, X-ray diffraction investigations and confocal fluorescence imaging. Chemistry Open, 7 (2). pp. 144-158. ISSN 2191-1363

Cameron, Jamie M., Fujimoto, Satomi, Wei, Rong-Jia, Newton, Graham N. and Oshio, Hiroki (2018) Post-functionalization of a photoactive hybrid polyoxotungstate. Dalton Transactions . ISSN 1477-9234

Cameron, Jamie M., Wales, Dominic J. and Newton, Graham (2018) Shining a light on the photo-sensitisation of organic-inorganic hybrid polyoxometalates. Dalton Transactions . ISSN 1477-9234

Cano, Israel, Martinez-Prieto, Luis M., Vendier, Laure and van Leeuwen, Piet W.N.M. (2018) An iridium–SPO complex as bifunctional catalyst for the highly selective hydrogenation of aldehydes. Catalysis Science and Technology, 8 (1). pp. 221-228. ISSN 2044-4753

Cao, Kecheng, Zoberbier, Thilo, Biskupek, Johannes, Botos, Akos, McSweeney, Robert, Kurtoglu, Abdullah, Stoppiello, Craig T., Markevich, Alexander V., Besley, Elena, Chamberlain, Thomas W., Kaiser, Ute and Khlobystov, Andrei N. (2018) Comparison of atomic scale dynamics for the middle and late transition metal nanocatalysts. Nature Communications, 9 . 3382/1-3382/10. ISSN 2041-1723

Carucci, Cristina, Bruen, Larah, Gascón, Victoria, Paradisi, Francesca and Magner, Edmond (2018) Significant enhancement of structural stability of the hyperhalophilic ADH from Haloferax volcanii via entrapment on metal organic framework support. Langmuir . ISSN 0743-7463

Cassidy, Jennifer and Paradisi, Francesca (2018) Haloquadratum walsbyi yields a versatile, NAD+/NADP+ dual affinity, thermostable, alcohol dehydrogenase (HwADH). Molecular Biotechnology, 60 (6). pp. 420-426. ISSN 1559-0305

Chen, Yuhui, Gao, Xiangwen, Johnson, Lee R. and Bruce, Peter G. (2018) Kinetics of lithium peroxide oxidation by redox mediators and consequences for the lithium–oxygen cell. Nature Communications, 9 . p. 767. ISSN 2041-1723

Chen, Yuhui, Jovanov, Zarko P., Gao, Xiangwen, Liu, Jingyuan, Holc, Conrad, Johnson, Lee R. and Bruce, Peter G. (2018) High capacity surface route discharge at the potassium-O2 electrode. Journal of Electroanalytical Chemistry, 819 . pp. 542-546. ISSN 1873-2569

Cheng, Tin S., Summerfield, Alex, Mellor, Christopher J., Davies, Andrew, Khlobystov, Andrei N., Eaves, Laurence, Foxon, C.T., Beton, Peter H. and Novikov, Sergei V. (2018) High-temperature molecular beam epitaxy of hexagonal boron nitride layers. Journal of Vacuum Science and Technology B, 36 (2). 02D103-1. ISSN 2166-2754

Cheng, Tin S., Summerfield, Alex, Mellor, Christopher J., Khlobystov, Andrei N., Eaves, Laurence, Foxon, C. Thomas, Beton, Peter H. and Novikov, Sergei V. (2018) High-temperature molecular beam epitaxy of hexagonal boron nitride with high active nitrogen fluxes. Materials, 11 (7). p. 1119. ISSN 1996-1944

Chernysheva, Maria, Al Alraimi, Mohammed, Rance, Graham A., Weston, Nicola J., Shi, Baogui, Saied, Sayah, Sullivan, John L., Marsh, Nicholas and Rozhin, Aleksey (2018) Revealing the nature of morphological changes in carbon nanotube-polymer saturable absorber under high-power laser irradiation. Scientific Reports, 8 . p. 7491. ISSN 2045-2322

Clarke, Coby James, Puttick, Simon, Sanderson, Thomas J., Taylor, Alasdair, Bourne, Richard A., Lovelock, Kevin R.J. and Licence, Peter (2018) Thermal stability of dialkylimidazolium tetrafluoroborate and hexafluorophosphate ionic liquids: ex situ bulk heating to complement in situ mass spectrometry. Physical Chemistry Chemical Physics, 20 (24). pp. 16786-16800. ISSN 1463-9084

Contente, Martina L. and Paradisi, Francesca (2018) Self-sustaining closed-loop multienzyme mediated conversion of amines into alcohols in continuous reactions. Nature Catalysis . ISSN 2520-1158

Cousin, David, Hummersone, Marc, Bradshaw, Tracey D., Zhang, Jihong, Moody, Christopher J., Foreiter, Magdalena, Summers, Helen, Lewis, William, Wheelhouse, R.T. and Stevens, Malcolm F.G. (2018) Synthesis and growth-inhibitory activities of imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamides related to the anti-tumour drug temozolomide, with appended silicon, benzyl and heteromethyl groups at the 3-position. MedChemComm . ISSN 2040-2503

Currie, D., Green, M., Dufailu, Osman A., Pitoulias, M., Soultanas, Panos, McCartney, E., Lester, H., Van den Eede, Liza, Apajalahti, J. and Mahdavi, Jafar (2018) Dietary supplementation with ferric tyrosine improves zootechnical performance and reduces caecal Campylobacter spp. load in poultry. British Poultry Science, 59 (6). pp. 646-653. ISSN 1466-1799

Davies, Andrew, Albar, J.D., Summerfield, Alex, Thomas, James C., Cheng, Tin S., Korolkov, Vladimir V., Stapleton, Emily, Wrigley, James, Goodey, Nathan L., Mellor, Christopher J., Khlobystov, Andrei N., Watanabe, Kenji, Taniguchi, Takashi, Foxon, C.T., Eaves, Laurence, Novikov, Sergei V. and Beton, Peter H. (2018) Lattice-matched epitaxial graphene grown on boron nitride. Nano Letters, 18 (1). pp. 498-504. ISSN 1530-6992

De Vitis, Valerio, Nakhnoukh, Cristina, Pinto, Andrea, Contente, Martina L., Barbiroli, Alberto, Milani, Mario, Bolognesi, Martino, Molinari, Francesco, Gourlay, Louise J. and Romano, Diego (2018) A stereospecific carboxyl esterase from Bacillus coagulans hosting nonlipase activity within a lipase-like fold. FEBS Journal . ISSN 1742-4658

Dimitrov, Vladimir and Woodward, Simon (2018) Capturing waste heat energy with charge-transfer organic thermoelectrics. Synthesis . ISSN 0039-7881

Dooley, Johnathon D. and Lam, Hon Wai (2018) One-carbon oxidative annulations of 1,3-enynes by catalytic C–H functionalization and 1,4-rhodium(III) migration. Chemistry - A European Journal, 24 (16). pp. 4050-4054. ISSN 1521-3765

Dumont, E., De Bleye, C., Cailletaud, J., Sacre, P.-Y., Van Lerberghe, P.-B., Rogister, B., Rance, G.A., Aylott, J.W., Hubert, Ph. and Ziemons, E. (2018) Development of a SERS strategy to overcome the nanoparticle stabilisation effect in serum-containing samples: Application to the quantification of dopamine in the culture medium of PC-12 cells. Talanta, 186 . pp. 8-16. ISSN 0039-9140

Elyajouri, Meriem, Lallement, Rosine, Cox, N.L.J., Cami, J., Cordiner, M.A., Smoker, J.V., Fahrang, A., Sarre, Peter and Linnartz, H. (2018) The EDIBLES survey III. C2-DIBs and their profiles. Astronomy & Astrophysics, 616 . A143. ISSN 1432-0746

Fanood, Mohammad M. Rafiee, Ganjitabar, Hassan, Garcia, Gustavo A., Nahon, Laurent, Turchini, Stefano and Powis, Ivan (2018) Intense vibronic modulation of the chiral photoelectron angular distribution generated by photoionization of limonene enantiomers with circularly polarized synchrotron radiation. ChemPhysChem, 19 (8). pp. 921-933. ISSN 1439-7641

Finney, Laura C., Mitchell, Lorna, J. and Moody, Christopher J. (2018) Visible light mediated oxidation of benzylic sp3 C–H bonds using catalytic 1,4hydroquinone, or its biorenewable glucoside, arbutin, as a pre-oxidant. Green Chemistry, 20 (10). pp. 2242-2249. ISSN 1463-9270

Forbes, Ruaridh, De Fanis, Alberto, Bomme, Cédric, Rolles, Daniel, Pratt, Stephen T., Powis, Ivan, Besley, Nicholas A., Nandi, Saikat, Milosavljević, Aleksandar R., Nicolas, Christophe, Bozek, John D., Underwood, Jonathan G. and Holland, David M.P. (2018) Auger electron angular distributions following excitation or ionization of the I 3d level in methyl iodide. The Journal of Chemical Physics, 149 (9). 094304. ISSN 0021-9606

Fouda, Adam E.A., Purnell, Gregory I. and Besley, Nicholas A. (2018) Simulation of ultra-fast dynamics effects in resonant inelastic x-ray scattering of gas-phase water. Journal of Chemical Theory and Computation . ISSN 1549-9626

Ganjitabar, Hassan, Hadidi, Rim, Garcia, Gustavo A., Nahon, Laurent and Powis, Ivan (2018) Vibrationally-resolved photoelectron spectroscopy and photoelectron circular dichroism of bicyclic monoterpene enantiomers. Journal of Molecular Spectroscopy, 353 . pp. 11-19. ISSN 0022-2852

Gardner, Adrian M., Tuttle, William D., Whalley, Laura E. and Wright, Timothy G. (2018) Direct observation of vibrational energy dispersal via methyl torsions. Chemical Science . ISSN 2041-6520

Gomm, Andrew, Grigoriou, Stylianos, Peel, Christopher, Ryan, James, Mujtaba, Nafees, Clarke, Thomas, Kulcinskaja, Evelina and O'Reilly, Elaine (2018) Application of “smart” amine donors for rapid screening and scale-up of transaminase-mediated biotransformations. European Journal of Organic Chemistry . ISSN 1099-0690

Gomm, Andrew and O'Reilly, Elaine (2018) Transaminases for chiral amine synthesis. Current Opinion in Chemical Biology, 43 . pp. 106-112. ISSN 1879-0402

Goodwin, Sean, Gibson, Joshua, Jones, Robert and Walsh, Darren A. (2018) An ultra-high vacuum electrochemical/mass spectrometry study of anodic decomposition of a protic ionic liquid. Electrochemistry Communications, 90 . pp. 111-115. ISSN 1388-2481

Goodwin, Sean, Muhammad, Sayyar and Walsh, Darren (2018) The contrasting effects of diethylmethylamine during reduction of protons and oxidation of formic acid in diethylmethylammonium-based protic ionic liquids. Journal of Electroanalytical Chemistry, 819 . pp. 187-192. ISSN 1873-2569

Groves, Alistair, Martinez, Jose I., Smith, Joshua J. and Lam, Hon Wai (2018) Remote nucleophilic allylation by allylrhodium chain walking. Chemistry - A European Journal . ISSN 0947-6539

Haddow, Sarah L., Ring, David J., Bagha, Hena, Pearce, Nicholas, Nowell, Harriet, Blake, Alexander J., Lewis, William, McMaster, Jonathan and Champness, Neil R. (2018) Perylene diimide triple helix formation in the solid-state. Crystal Growth and Design, 18 (2). pp. 802-807. ISSN 1528-7483

Han, Xue, Godfrey, Harry G.W., Briggs, Lydia, Davies, Andrew J., Cheng, Yongqiang, Daemen, Luke L., Sheveleva, Alena M., Tuna, Floriana, McInnes, Eric J.L., Sun, Junliang, Drathen, Christina, George, Michael W., Ramirez-Cuesta, Anibal J., Thomas, K. Mark, Schröder, Martin and Yang, Sihai (2018) Reversible adsorption and confinement of nitrogen dioxide within a robust porous metal-organic framework. Nature Materials . ISSN 1476-4660

Hanson-Heine, Magnus W.D., George, Michael W. and Besley, Nicholas A. (2018) Basis sets for the calculation of core-electron binding energies. Chemical Physics Letters, 699 . pp. 279-285. ISSN 0009-2614

Hanson-Heine, Magnus W.D., George, Michael W. and Besley, Nicholas A. (2018) Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes. Chemical Physics Letters . ISSN 0009-2614

Hanson-Heine, Magnus W.D., George, Michael W. and Besley, Nicholas A. (2018) Assessment of time-dependent density functional theory with the restricted excitation space approximation for excited state calculations of large systems. Molecular Physics, 116 (11). pp. 1452-1459. ISSN 1362-3028

Harris, Christopher and Stace, Anthony J. (2018) Coulomb fission in multiply-charged ammonia clusters: accurate measurements of the Rayleigh instability limit from fragmentation patterns. Journal of Physical Chemistry A, 122 (10). pp. 2634-2644. ISSN 1520-5215

He, Guping, Bennett, Thomas M., Alauhdin, Mohammad, Fay, Michael W., Liu, Xin, Schwab, Simon T., Sun, Cheng-gong and Howdle, Steven M. (2018) A facile route to bespoke macro- and mesoporous block copolymer microparticles. Polymer Chemistry, 9 (27). p. 3808. ISSN 1759-9954

Hirst, Edward A, Taylor, Alison and Mokaya, Robert (2018) A simple flash carbonization route for conversion of biomass to porous carbons with high CO2 storage capacity. Journal of Materials Chemistry A . ISSN 2050-7496

Huxley, Michael T., Burgun, Alexandre, Ghodrati, Hanieh, Coghlan, Campbell J., Lemieux, Anthony, Champness, Neil R., Huang, David M., Doonan, Christian J. and Sumby, Christopher J. (2018) Protecting-group-free site-selective reactions in a metal–organic framework reaction vessel. Journal of the American Chemical Society, 140 (20). pp. 6416-6425. ISSN 1520-5126

Jenner, Matthew, Kosol, Simone, Griffiths, Daniel, Prasongpholchai, Panward, Manzi, Lucio, Barrow, Andrew S., Moses, John E., Oldham, Neil J., Lewandowski, Jozef and Challis, Gregory (2018) Mechanism of subunit interaction at ketosynthase-dehydratase junctions in trans-AT polyketide synthases. Nature Chemical Biology, 14 . pp. 270-275. ISSN 1552-4450

Judd, Chris J., Champness, Neil R. and Saywell, Alexander (2018) An on-surface reaction confined within a porous molecular template. Chemistry - a European Journal, 24 (1). pp. 56-61. ISSN 1521-3765

Karad, Somnath Narayan, Panchal, Heena, Clarke, Christopher, Lewis, William and Lam, Hon Wai (2018) Enantioselective synthesis of chiral cyclopent-2-enones by nickel-catalyzed desymmetrization of malonate esters. Angewandte Chemie International Edition, 57 (29). pp. 9122-9125. ISSN 1433-7851

Kemp, David J., Tuttle, William D., Jones, Florence M.S., Gardner, Adrian M., Andrejeva, Anna, Wakefield, Jonathan C.A. and Wright, Timothy G. (2018) Consistent assignment of the vibrations of symmetric and asymmetric meta-disubstituted benzenes. Journal of Molecular Spectroscopy, 346 . pp. 46-59. ISSN 0022-2852

Kemp, David J., Whalley, Laura E., Tuttle, William D., Gardner, Adrian M., Speake, Benjamin T. and Wright, Timothy G. (2018) Vibrations of the p-chlorofluorobenzene cation. Physical Chemistry Chemical Physics . ISSN 1463-9076

Kerfoot, James, Korolkov, Vladimir V., Nizovtsev, Anton S., Jones, Ryan, Taniguchi, Takashi, Watanabe, Kenji, Lesanovsky, Igor, Olmos, Beatriz, Besley, Nicholas A., Besley, Elena and Beton, Peter H. (2018) Substrate-induced shifts and screening in the fluorescence spectra of supramolecular adsorbed organic monolayers. Journal of Chemical Physics . ISSN 1089-7690 (In Press)

Khattak, Farina, Paschalis, Vasileios, Green, Matthew, Houdijk, Jos, Soultanas, Panos and Mahdavi, Jafar (2018) TYPLEX® Chelate, a novel feed additive, inhibits Campylobacter jejuni biofilm formation and cecal colonization in broiler chickens. Poultry Science, 97 (4). pp. 1391-1399. ISSN 1525-3171

Kumar, Chandan, Fliegl, Heike, Jensen, Frank, Teale, Andrew M., Reine, Simen and Kjaergaard, Thomas (2018) Accelerating Kohn–Sham response theory using density fitting and the auxiliary-density-matrix method. International Journal of Quantum Chemistry . ISSN 0020-7608

Lindgren, Eric B., Derbenev, Ivan N., Khachatourian, Armik, Chan, Ho-Kei, Stace, Anthony J. and Besley, Elena (2018) Electrostatic self-assembly: understanding the significance of the solvent. Journal of Chemical Theory and Computation, 14 (2). pp. 905-915. ISSN 1549-9626

Lindgren, Eric B., Stamm, Benjamin, Maday, Yvon, Besley, Elena and Stace, Anthony J. (2018) Dynamic simulations of many-body electrostatic self-assembly. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences . ISSN 1471-2962

Luo, Yunfei, Wales, Steven M., Korkis, Stamatis E., Roy, Iain D., Lewis, William and Lam, Hon Wai (2018) Switchable synthesis of Z-homoallylic boronates and E-allylic boronates by enantioselective copper-catalyzed 1,6-boration. Chemistry - a European Journal, 24 (33). pp. 8315-8319. ISSN 1521-3765

Lutz, Lukas, Dachraoui, Walid, Demortière, Arnaud, Johnson, Lee R., Bruce, Peter G., Grimaud, Alexis and Tarascon, Jean-Marie (2018) Operando monitoring of the solution-mediated discharge and charge processes in a Na-O2 battery using liquid-electrochemical Transmission Electron Microscopy. Nano Letters, 18 (2). pp. 1280-1289. ISSN 1530-6992

Madjid, M.Y.A., Vandeginste, Veerle, Hampson, G., Jordan, C.J. and Booth, A.D. (2018) Drones in carbonate geology: opportunities and challenges, and application in diagenetic dolomite geobody mapping. Marine and Petroleum Geology . ISSN 0264-8172 (In Press)

Mais, Marco, Paul, Subhradip, Barrow, Nathan S. and Titman, Jeremy J. (2018) Dynamic nuclear polarization enhanced solid-state NMR studies of surface modification of gamma-alumina. Johnson Matthey Technology Review, 62 (3). pp. 271-278. ISSN 2056-5135

Matos, Priscilla Mendonça, Lewis, William, Moore, Jonathan C. and Stockman, Robert A. (2018) Sulfonimidates: useful synthetic intermediates for sulfoximine synthesis via C–S bond formation. Organic Letters, 20 (12). pp. 3674-3677. ISSN 1523-7060

Melchionna, Michele, Beltram, Alessandro, Stopin, Antoine, Montini, Tiziano, Lodge, Rhys W, Khlobystov, Andrei N., Bonifazi, Davide, Prato, Maurizio and Fornasiero, Paolo (2018) Magnetic shepherding of nanocatalysts through hierarchically-assembled Fe-filled CNTs hybrid. Applied Catalysis B: Environmental, 227 . pp. 356-365. ISSN 0926-3373

Mirzaei, Masoud, Hassanpoor, Azam, Alizadeh, Hanie, Gohari, Mahnaz and Blake, Alexander J. (2018) An eight-coordinate zinc complex containing the highly pre-organized ligand 1,10-phenanthroline-2,9-dicarboxylic acid: solvothermal synthesis, supramolecular structure and CSD studies. Journal of Molecular Structure, 1171 . pp. 626-630. ISSN 0022-2860

Mitra, Tamoghna, Moreau, Florian, Nevin, Adam, Perotto, Carlo U., Summerfield, Alex, Davies, E. Stephen, Gibson, Elizabeth, Easun, Timothy L. and Schröder, Martin (2018) Characterisation of redox states of metal-organic frameworks by growth on modified thin-film electrodes. Chemical Science . ISSN 2041-6539

Mondal, Satyajit, Chakraborty, Moumita, Mondal, Antu, Pakhira, Bholanath, Blake, Alexander J., Sinn, Ekkehard and Chattopadhyay, Shyamal Kumar (2018) Cu(ii) complexes of a tridentate N,N,O-donor Schiff base of pyridoxal: synthesis, X-ray structures, DNA-binding properties and catecholase activity. New Journal of Chemistry, 42 (12). pp. 9588-9597. ISSN 1369-9261

Montalbán, M.G., Villora, G. and Licence, P. (2018) Ecotoxicity assessment of dicationic versus monocationic ionic liquids as a more environmentally friendly alternative. Ecotoxicology and Environmental Safety, 150 . pp. 129-135. ISSN 0147-6513

Moody, Christopher J., Wales, Steven M., Merisor, Elena, Adcock, Holly, Pearce, Christopher A., Strutt, Ian, Lewis, William and Hamza, Daniel (2018) Diastereoselective synthesis of highly substituted, amino- and pyrrolidino-tetrahydrofurans as lead-like molecular scaffolds. Chemistry - A European Journal, 24 (32). pp. 8233-8239. ISSN 1521-3765

Mumtaz, Salma, Cano, Israel, Mumtaz, Nargis, Abbas, Ahmed, Dupont, Jairton and Gondal, Humaira Yasmeen (2018) Supramolecular interaction of non-racemic benzimidazolium based ion pairs with chiral substrates. Physical Chemistry Chemical Physics, 20 (32). 20821- 20826. ISSN 1463-9076

Nguyen, Thi Le Nhon, Incerti-Pradillos, Celia A., Lewis, William and Lam, Hon Wai (2018) Enantioselective nickel-catalyzed arylative intramolecular 1,4allylations. Chemical Communications . ISSN 1364-548X

Nolla-Saltiel, Roberto, Geer, Ana M, Lewis, William, Blake, Alexander J. and Kays, Deborah L. (2018) Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes. Chemical Communications, 54 (15). pp. 1825-1828. ISSN 1364-548X

Oglic, Dino, Oatley, Steven A., Macdonald, Simon J.F., McInally, Thomas, Garnett, Roman, Hirst, Jonathan D. and Gärtner, Thomas (2018) Active search for computer-aided drug design. Molecular Informatics, 37 . p. 1700130. ISSN 1868-1743

Pearce, Nicholas, Davies, E. Stephen, Horvath, Raphael, Pfeiffer, Constance R., Sun, Xue-Xhong, Lewis, William, McMaster, Jonathan, George, Michael W. and Champness, Neil R. (2018) Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads. Physical Chemistry Chemical Physics, 20 (2). pp. 752-764. ISSN 1463-9084

Perotto, Carlo U., Sodipo, Charlene L., Jones, Graham J., Tidey, Jeremiah P., Blake, Alexander J., Lewis, William, Davies, E. Stephen, McMaster, Jonathan and Schröder, Martin (2018) Heterobimetallic [NiFe] complexes containing mixed CO/CN− ligands: analogs of the active site of the [NiFe] hydrogenases. Inorganic Chemistry, 57 (5). pp. 2258-2569. ISSN 1520-510X

Pfau, Sebastian A., La Rocca, Antonino, Haffner-Staton, Ephraim, Rance, Graham A., Fay, Mike W., Brough, Robert J. and Malizia, Simone (2018) Comparative nanostructure analysis of gasoline turbocharged direct injection and diesel soot-in-oil with carbon black. Carbon, 139 . pp. 342-352. ISSN 0008-6223

Planchestainer, Matteo, Padrosa, David Roura, Contente, Martina Letizia and Paradisi, Francesca (2018) Genetically fused T4L acts as a shield in covalent enzyme immobilisation enhancing the rescued activity. Catalysts, 8 (1). p. 40. ISSN 2073-4344

Planchestainer, Matteo, Segaud, Nathalie, Shanmugam, Muralidharan, McMaster, Jonathan, Paradisi, Francesca and Albrecht, Martin (2018) Carbene in cupredoxin protein scaffolds: replacement of a histidine ligand in the active site substantially alters copper redox properties. Angewandte Chemie International Edition, 57 (33). pp. 10677-10682. ISSN 1521-3773

Powis, Ivan, Menzies, R.C., Holland, D.M.P., Trofimov, A.B., Skitnevskaya, A.D., Gromov, E.V., Antonsson, Egill, Patanen, Minna, Nicolas, Christophe and Miron, Catalin (2018) Photoionization dynamics of cisdichloroethene from investigation of vibrationally resolved photoelectron spectra and angular distributions. Journal of Chemical Physics . ISSN 1089-7690 (In Press)

Qian, Wenjie, González-Campo, Arántzazu, Pérez-Rodríguez, Ana, Rodríguez-Hermida, Sabina, Imaz, Inhaz, Wurst, Klaus, Maspoch, Daniel, Ruiz, Eliseo, Ocal, Carmen, Barrena, Esther, Amabilino, David B. and Aliaga-Alcalde, Núria (2018) Boosting self‐assembly diversity in the solid‐state by chiral/non‐chiral ZnII‐porphyrin crystallization. Chemistry - a European Journal . ISSN 1521-3765

Rahe, Philipp, Smith, Emily F., Wollschläger, Joachim and Moriarty, Philip J. (2018) Formation routes and structural details of the CaF1 layer on Si(111) from high-resolution noncontact atomic force microscopy data. Physical Review B, 97 (12). p. 125418. ISSN 2469-9969

Rebolini, Elisa, Teale, Andrew M., Helgaker, Trygve, Savin, Andreas and Toulouse, Julien (2018) Excitation energies from Görling–Levy perturbation theory along the range-separated adiabatic connection. Molecular Physics, 116 (11). pp. 1443-1451. ISSN 1362-3028

Reid, Katharine L. (2018) Accessing the molecular frame through strong-field alignment of distributions of gas phase molecules. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences, 376 (2115). p. 20170158. ISSN 1471-2962

Robert Garrett, Mary, Durán-Peña, María Jesús, Lewis, Willliam, Pudzs, Kaspars, Uzulis, Janis, Mihailovs, Igors, Tyril, Björk, Shine, Jonathan, Smith, Emily F., Rutkis, Martins and Woodward, Simon (2018) Synthesis and thermoelectric properties of 2- and 2,8-substituted tetrathiotetracenes. Journal of Materials Chemistry C . ISSN 2050-7496

Santos, Marilla S., Nortcliffe, Andrew, Lewis, William, Bradshaw, Tracey D and Moody, Christopher J. (2018) Synthesis of highly substituted 1,2-diazetidin-3-ones, small ring scaffolds for drug discovery. Chemistry - a European Journal . ISSN 1521-3765

Sevilla, Marta, Al-Jumialy, Abdul Salam M., Fuertes, Antonio B. and Mokaya, Robert (2018) Optimization of the pore structure of biomass-based carbons in relation to their use for CO2 capture at low and high pressure regimes. ACS Applied Materials and Interfaces, 10 (2). pp. 1623-1633. ISSN 1944-8252

Shiga, Takuya, Kumamaru, Rina, Newton, Graham N. and Oshio, Hiroki (2018) Cobalt complexes with redox-active anthraquinone-type ligands. Dalton Transactions, 47 (23). pp. 7804-7811. ISSN 1477-9234

Shiga, Takuya, Newton, Graham N. and Oshio, Hiroki (2018) Pre-programmed self-assembly of polynuclear clusters. Dalton Transactions . ISSN 1477-9234

Snart, Charles J.P., Kapranas, Apostolos, Williams, Huw, Barrett, David A. and Hardy, Ian C. (2018) Sustenance and performance: nutritional reserves, longevity and contest outcomes of fed and starved adult parasitoid wasps. Frontiers in Ecology and Evolution . ISSN 2296-701X

Strickland, Michelle, Tudorica, Victor, Řezáč, Milan, Thomas, Neil R. and Goodacre, Sara L. (2018) Conservation of a pH-sensitive structure in the C-terminal region of spider silk extends across the entire silk gene family. Nature . ISSN 1476-4687

Stuart, Bryan W., Grant, Colin A., Stan, George E., Popa, Adrian C., Titman, Jeremy J. and Grant, David M. (2018) Gallium incorporation into phosphate based glasses: bulk and thin film properties. Journal of the Mechanical Behavior of Biomedical Materials, 82 . pp. 371-382. ISSN 1751-6161

Tellgren, Erik I., Laestadius, Andre, Helgaker, Trygve, Kvaal, Simen and Teale, Andrew M. (2018) Uniform magnetic fields in density-functional theory. Journal of Chemical Physics, 148 . 024101/1-024101/18. ISSN 1089-7690

Thieghi, Leila T., Longo Jr, Luiz S., Licence, Peter and Alves, Sarah (2018) Effect of dicationic ionic liquids on lyotropic liquid crystals formed by a binary system composed of Triton-X 100 and water. Molecular Crystals and Liquid Crystals, 657 (1). pp. 95-101. ISSN 1563-5287

Thummavichai, Kunyapat, Wang, Nannan, Xu, Fang, Rance, Graham, Xia, Yongde and Zhu, Yanqiu (2018) In situ investigations of the phase change behaviour of tungsten oxide nanostructures. Royal Society Open Science, 5 . p. 171932. ISSN 2054-5703

Tuttle, William D., Gardner, Adrian M., Whalley, Laura E., Kemp, David J. and Wright, Timothy G. (2018) Effects of symmetry, methyl groups and serendipity on intramolecular vibrational energy dispersal. Physical Chemistry Chemical Physics . ISSN 1463-9084

Tuttle, William D., Thorington, Rebecca L., Viehland, Larry A., Breckenridge, W.H. and Wright, Timothy G. (2018) Interactions of C+(2PJ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients. Philosophical Transactions of the Royal Society A: Mathematical, Physical & Engineering Sciences, 376 (2115). 20170156/1-20170156/20. ISSN 1471-2962

Wakefield, Jennifer M.K., Gillis, Richard B., Adams, Gary G., McQueen, Caitlin and Harding, Stephen E. (2018) Controlled depolymerisation, as assessed by analytical ultracentrifugation, of low molecular weight chitosan for potential use in archaeological conservation. European Biophysics Journal, 47 (7). pp. 769-775. ISSN 1432-1017

Wales, Dominic J., Cao, Qun, Kastner, Katharina, Karjalainen, Erno, Newton, Graham N. and Sans, Victor (2018) 3D printable photochromic molecular materials for reversible information storage. Advanced Materials, 30 (26). 1800159/1-1800159/7. ISSN 1521-4095

Wales, Steven M., Adcock, Holly V., Lewis, William, Hamza, Daniel and Moody, Christopher J. (2018) Nitrogen-Bridged, Natural Product-Like Octahydrobenzofurans and Octahydroindoles: Scope and Mechanism of Bridge-Forming Reductive Amination via Caged Heteroadamantanes. European Journal of Organic Chemistry, 34 . pp. 4696-4704. ISSN 1099-0690

Wang, Zhaofeng, Su, Weiwei, Tang, Xu and Wu, Jiahao (2018) Influence of water invasion on methane adsorption behavior in coal. International Journal of Coal Geology, 197 . pp. 74-83. ISSN 0166-5162

Yan, Yong, O'Connor, Alice E., Kanthasamy, Gopikkaa, Atkinson, George, Allan, David R., Blake, Alexander J. and Schröder, Martin (2018) Unusual and tunable negative linear compressibility in the metal–organic framework MFM-133(M)(M = Zr, Hf). Journal of the American Chemical Society . ISSN 1520-5126

Zamberlan, F., Turyanska, L., Patanè, A., Liu, Z., Williams, H.E.L., Fay, M.W., Clarke, P.A., Imamura, Y., Jin, T., Bradshaw, T.D., Thomas, N.R. and Grabowska, A.M. (2018) Stable DHLA–PEG capped PbS quantum dots: from synthesis to near-infrared biomedical imaging. Journal of Materials Chemistry B, 6 . pp. 550-555. ISSN 2050-7518

Zhovtobriukh, Iurii, Besley, Nicholas A., Fransson, Thomas, Nilsson, Anders and Pettersson, Lars G.M. (2018) Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water. Journal of Chemical Physics, 148 (14). 144507/1-144507/. ISSN 1089-7690

2017

Adams, Bethany, Shillito, Georgina E., Salm, Holly van der, Horvath, Raphael, Larsen, Christopher B., Lucas, Nigel T., George, Michael W. and Gordon, Keith C. (2017) The alteration of intra-ligand donor-acceptor interactions through torsional connectivity in substituted Re-dppz complexes. Inorganic Chemistry, 56 (21). pp. 12967-12977. ISSN 1520-510X

Al-jumaili, Mustafa A-jabbar and Woodward, Simon (2017) Efficient synthesis of 2,5-dicarbonyl derivatives of 3,4-ethylenedithiothiophene (EDTT) via addition-elimination reaction. Tetrahedron, 73 (40). pp. 5847-5852. ISSN 0040-4020

Alsafadi, Diya, Alsalman, Safaa and Paradisi, Francesca (2017) Extreme halophilic alcohol dehydrogenase mediated highly efficient syntheses of enantiopure aromatic alcohols. Organic and Biomolecular Chemistry . ISSN 1477-0520

Andrews, Keith G. and Denton, Ross M. (2017) A more critical role for silicon in the catalytic Staudinger amidation: silanes as non-innocent reductants. Chemical Communications, 53 (57). pp. 7982-7985. ISSN 1364-548X

Andrews, Keith G., Faizova, Radmilla and Denton, Ross M. (2017) A practical and catalyst-free trifluoroethylation reaction of amines using trifluoroacetic acid. Nature Communications, 8 . 15913/1-15913/6. ISSN 2041-1723

Aygun, Mehtap, Stoppiello, Craig T., Lebedeva, Maria A., Smith, Emily F., Gimenez-Lopez, Maria del Carmen, Khlobystov, Andrei N. and Chamberlain, Thomas W. (2017) Comparison of alkene hydrogenation in carbon nanoreactors of different diameters: probing the effects of nanoscale confinement on ruthenium nanoparticle catalysis. Journal of Materials Chemistry A, 40 (5). pp. 21467-21477. ISSN 2050-7496

Balahmar, Norah, Al-Jumialy, Abdul Salam and Mokaya, Robert (2017) Biomass to porous carbon in one step: directly activated biomass for high performance CO2 storage. Journal of Materials Chemistry A, 5 (24). pp. 12330-12339. ISSN 2050-7496

Banerjee, Rahul and Champness, Neil R. (2017) Covalent organic frameworks and organic cage structures. CrystEngComm, 19 . pp. 4866-4867. ISSN 1466-8033

Bassett, Simon P., Birkin, Natasha A., Jennings, James, Champman, Emma, O'Reilly, Rachel K., Howdle, Steven M. and Willcock, Helen (2017) One-pot synthesis of micron-sized polybetaine particles: innovative use of supercritical carbon dioxide. Polymer Chemistry, 8 . pp. 4557-4564. ISSN 1759-9962

Birchall, Christopher, Moxey, Graeme J., McMaster, Jonathan, Blake, Alexander J., Lewis, William and Kays, Deborah L. (2017) A monomeric, heterobimetallic complex with an unsupported Mg−Fe bond. Inorganica Chimica Acta, 458 . pp. 97-100. ISSN 0020-1693

Black, Fiona A., Clark, Charlotte A., Summers, Gareth H., Clark, Ian P., Towrie, Michael, Penfold, Thomas J., George, Michael W. and Gibson, Elizabeth A. (2017) Investigating interfacial electron transfer in dye-sensitized NiO using vibrational spectroscopy. Physical Chemistry Chemical Physics, 19 (11). pp. 7877-7885. ISSN 1463-9084

Blake, Alexander J. (2017) Structure determination techniques flex their muscles. Angewandte Chemie International Edition, 56 (39). pp. 11697-11698. ISSN 1521-3773

Blankenship, Troy Scott, Balahmar, Norah and Mokaya, Robert (2017) Oxygen-rich microporous carbons with exceptional hydrogen storage capacity. Nature Communications, 8 . 1545/1-1545/12. ISSN 2041-1723

Blankenship, Troy Scott and Mokaya, Robert (2017) Cigarette butt-derived carbons have ultra-high surface area and unprecedented hydrogen storage capacity. Energy and Environmental Science . ISSN 1754-5706

Booth, Adam D., Vandeginste, Veerle, Pike, Dominic, Abbey, Russell, Clark, Roger A., Green, Chris M. and Howland, Nathan (2017) Geochemical insight during archaeological geophysical exploration through in situ X‐ray fluorescence spectrometry. Archaeological Prospection . ISSN 1075-2196

Bradley, Mark, Birchall, Christopher, Blake, Alexander J., Lewis, William, Moxey, Graeme J. and Kays, Deborah L. (2017) 1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesized through alkane elimination reactions. Dalton Transactions, 46 . pp. 4101-4110. ISSN 1477-9234

Bruzzi, E. and Stace, Anthony J. (2017) Experimental measurements of water molecule binding energies for the second and third solvation shells of [Ca(H₂O)n]2+ complexes. Royal Society Open Science, 4 (1). pp. 1-8. ISSN 2054-5703

Buckley, Matthew, Syres, Karen Louise and Jones, Robert G. (2017) Interactions and stabilisation of acetone, sulfur dioxide and water with 1-octyl-3-methylimidazolium tetrafluoroborate [OMIM][BF4] at low temperatures. Faraday Discussions . ISSN 1364-5498

Callingham, Michael, Partridge, Benjamin M., Lewis, William and Lam, Hon Wai (2017) Enantioselective rhodium-catalyzed coupling of arylboronic acids, 1,3-enynes, and Imines by alkenyl-to-allyl 1,4-rhodium(I) migration. Angewandte Chemie International Edition, 56 (51). pp. 16352-16356. ISSN 1521-3773

Cassidy, Jennifer, Bruen, Larah, Rosini, Elena, Molla, Gianluca, Pollegioni, Loredano and Paradisi, Francesca (2017) Engineering substrate promiscuity in halophilic alcohol dehydrogenase (HvADH2) by in silico design. PLoS ONE . ISSN 1932-6203

Casula, Arianna, Fornasier, Marco, Montis, Riccardo, Bettoschi, Alexandre, Argent, Stephen P., Blake, Alexander J., Lippolis, Vito, Marongiu, Laura, Picci, Giacomo, Tidey, Jeremiah P. and Caltagirone, Claudia (2017) Halogen-substituted ureas for anion binding: solid state and solution studies. Supramolecular Chemistry . pp. 1-12. ISSN 1029-0478

Chamberlain, Thomas W., Biskupek, Johannes, Skowron, Stephen T., Markevich, Alexander V., Kurasch, Simon, Reimer, Oliver, Walker, Kate F., Rance, Graham A., Xinliang, Feng, Müllen, Klaus, Turchanin, Andrey, Lebedeva, Maria A., Majouga, Alexander G., Nenajdenko, Valentin G., Kaiser, Ute, Besley, Nicholas A. and Khlobystov, Andrei N. (2017) Stop-frame filming and discovery of reactions at the single-molecule level by transmission electron microscopy. ACS Nano, 11 (3). pp. 2509-2520. ISSN 1936-086X

Cini, Melchoir, Bradshaw, Tracey D. and Woodward, Simon (2017) Using titanium complexes to defeat cancer: the view from the shoulders of titans. Chemical Society Reviews . ISSN 1460-4744

Cleaves, Peter A., Kefalidis, Christos E., Gardner, Benedict M., Tuna, Floriana, McInnes, Eric J.L., Lewis, William, Maron, Laurent and Liddle, Stephen T. (2017) Terminal uranium(V/VI) nitride activation of carbon dioxide and carbon disulfide: factors governing diverse and well-defined cleavage and redox reactions. Chemistry - a European Journal, 23 (12). pp. 2950-2959. ISSN 1521-3765

Contente, Martina L., Dall'Oglio, Federica, Tamborini, Lucia, Molinari, Francesco and Paradisi, Francesca (2017) Highly efficient oxidation of amines to aldehydes via flow-based biocatalysis. Chemcatchem . ISSN 1867-3899

Cordiner, M.A., Cox, N.L.J., Lallement, R., Najarro, F., Cami, J., Gull, T.R., Foing, B.H., Linnartz, H., Proffitt, C.R., Sarre, Peter and Charnley, S.B. (2017) Searching for interstellar C60+ using a new method for high signal-to-noise HST/STIS spectroscopy. Astrophysical Journal Letters, 843 (1). L2/1-L2/6. ISSN 2041-8213

Cox, Michael and Mokaya, Robert (2017) Ultra-high surface area mesoporous carbons for colossal pre combustion CO2 capture and storage as materials for hydrogen purification. Sustainable Energy & Fuels . ISSN 2398-4902

Cox, Nick L.J., Cami, Jan, Farhang, Amin, Smoker, Jonathan, Monreal-Ibero, Ana, Lallement, Rosine, Sarre, Peter J, Marshall, Charlotte C.M., Smith, Keith T., Evans, Christopher J., Royer, Pierre, Linnartz, Harold, Cordiner, Martin A., Joblin, Christine, van Loon, Jacco Th., Foing, Bernard H., Bhatt, Neil H., Bron, Emeric, Elyajouri, Meriem, de Koter, Alex, Ehrenfreund, Pascale, Javadi, Atefeh, Kaper, Lex, Khosroshadi, Habib G, Laverick, Mike, Le Petit, Franck, Mulas, Giacomo, Roueff, Evelyne, Salama, Farid and Spaans, Marco (2017) The ESO Diffuse Interstellar Bands Large Exploration Survey EDIBLES: I. Project description, survey sample and quality assessment. Astronomy & Astrophysics, 606 . A76. ISSN 0004-6361

Daly, Steven, Powis, Ivan, Garcia, Gustavo A., Tia, Maurice and Nahan, Laurent (2017) An imaging photoelectron-photoion coincidence investigation of homochiral 2R,3R-butanediol clusters. Journal of Chemical Physics, 147 (1). 013937. ISSN 1089-7690

Davies, Julia A., Whalley, Laura and Reid, Katharine L. (2017) Probing the origins of vibrational mode specificity in intramolecular dynamics through picosecond time-resolved photoelectron imaging studies. Physical Chemistry Chemical Physics . ISSN 1463-9084

Dawood, Rafid S., Georgiou, Irene, Wilkie, Ross P., Lewis, William and Stockman, Robert A. (2017) Asymmetric synthesis of pyrrolidine-containing chemical scaffolds via Tsuji-Trost allylation of N-tert-butanesulfinyl imines. Chemistry - a European Journal, 23 (46). pp. 11153-11158. ISSN 1521-3765

Dereymaker, Aswin, Scurr, David J., Steer, Elisabeth D., Roberts, Clive J. and Van den Mooter, Guy (2017) Controlling the release of indomethacin from glass solutions layered with a rate controlling membrane using fluid-bed processing. Part 1: Surface and cross-sectional chemical analysis. Molecular Pharmaceutics . ISSN 1543-8384

Dexter, Hannah L., Williams, Huw E.L., Lewis, William and Moody, Christopher J. (2017) Total synthesis of the post-translationally modified polyazole peptide antibiotic goadsporin. Angewandte Chemie International Edition, 56 (11). pp. 3069-3073. ISSN 1521-3773

Douglas, Tim, Pordea, Anca and Dowden, James (2017) Iron-catalyzed indolizine synthesis from pyridines, diazo compounds, and alkynes. Organic Letters, 19 (23). pp. 6396-6399. ISSN 1523-7052

Duran Jimenez, G., Monti, Tamara, Titman, Jeremy J., Hernandez-Montoya, V., Kingman, S.W. and Binner, Eleanor (2017) New insights into microwave pyrolysis of biomass: preparation of carbon-based products from pecan nutshells and their application in wastewater treatment. Journal of Analytical and Applied Pyrolysis, 124 . pp. 113-121. ISSN 0165-2370

Eccleshare, Lee, Selzer, Sean and Woodward, Simon (2017) An efficient synthesis of substituted chrysenes. Tetrahedron, 58 (5). pp. 393-395. ISSN 0040-4020

Fogarty, Richard M., Matthews, Richard P., Clough, Matthew T., Ashworth, Claire R., Brandt, Agnieszka, Corbett, Paul J., Palgrave, Robert G., Bourne, Richard A., Chamberlain, Thomas W., Vander Hoogerstraete, Tom, Thompson, Paul B.J., Hunt, Patricia A., Besley, Nicholas A. and Lovelock, Kevin R.J. (2017) NEXAFS spectroscopy of ionic liquids: experiments versus calculations. Physical Chemistry Chemical Physics . ISSN 1463-9076

Fouda, Adam E.A. and Besley, Nicholas A. (2017) Assessment of basis sets for density functional theory based calculations of core electron spectroscopies. Theorectical Chemistry Accounts . ISSN 1432-2234 (In Press)

Fujimoto, Satomi, Cameron, Jamie M., Wei, Rong Jia, Kastner, Katharina, Robinson, David, Sans, Victor, Newton, Graham N. and Oshio, Hiroki (2017) A simple approach to the Visible-light photoactivation of molecular metal oxides. Inorganic Chemistry . ISSN 1520-510X

Galloway, Kyle W. (2017) Undergraduate perceptions of value: degree skills and career skills. Chemistry Education Research and Practice . ISSN 1109-4028

Garcia, Gustavo A., Dossmann, Heloise, Nahon, Laurent, Daly, Steven and Powis, Ivan (2017) Identifying and understanding strong vibronic interaction effects observed in the asymmetry of chiral molecule photoelectron angular distributions. ChemPhysChem, 18 (5). pp. 500-512. ISSN 1439-7641

Gardner, Adrian M., Tuttle, William D., Groner, Peter and Wright, Timothy G. (2017) Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: an investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. Journal of Chemical Physics, 146 (12). p. 124308. ISSN 1089-7690

Geary, Gemma C., Nortcliffe, Andrew, Pearce, Christopher A., Hamza, Daniel, Jones, Geraint and Moody, Christopher J. (2017) Densely functionalised spirocyclic oxetane-piperidine scaffolds for drug discovery. Bioorganic & Medicinal Chemistry . ISSN 0968-0896

Goodwin, Sean and Walsh, Darren A. (2017) Closed bipolar electrodes for spatial separation of H2 and O2 evolution during water electrolysis and the development of high-voltage fuel cells. ACS Applied Materials and Interfaces . ISSN 1944-8252

Gregson, Matthew, Lu, Erli, Mills, David P., Tuna, Floriana, McInnes, Eric J.L., Hennig, Christoph, Scheinost, Andreas C., McMaster, Jonathan, Lewis, William, Blake, Alexander J., Kerridge, Andrew and Liddle, Stephen T. (2017) The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes. Nature Communications, 8 . p. 14137. ISSN 2041-1723

Guan, Jia, Wriglesworth, Alisdair, Brothers, Edward N., Snežana, D. Zarić, Jones, William D., Hall, Michael B. and George, Michael W. (2017) Probing the carbon-hydrogen activation of alkanes following photolysis of Tp’Rh(CNR)(carbodiimide): a computational and time-resolved infrared spectroscopic study. Journal of the American Chemical Society . ISSN 0002-7863

Gulfam, Muhammad, Matini, Teresa, Monteiro, Patrícia F., Riva, Raphaël, Collins, Hilary, Spriggs, Keith, Howdle, Steven M., Jérôme, Christine and Alexander, Cameron (2017) Bioreducible cross-linked core polymer micelles enhance in vitro activity of methotrexate in breast cancer cells. Biomaterials Science, 5 . pp. 532-550. ISSN 2047-4830

Hanson-Heine, Magnus W.D., George, Michael W. and Besley, Nicholas A. (2017) Kohn-Sham density functional theory calculations of non-resonant and resonant X-ray emission spectroscopy. Journal of Chemical Physics, 146 (9). 094106. ISSN 1089-7690

Harris, Christopher, Baptiste, Joshua, Lindgren, Eric B., Besley, Elena and Stace, Anthony J. (2017) Coulomb fission in multiply charged molecular clusters: experiment and theory. Journal of Chemical Physics, 146 (16). 164302/1-164302/10. ISSN 1089-7690

Harvey, D., Bardelang, P., Goodacre, S.L., Cockayne, Alan and Thomas, Neil R. (2017) Antibiotic spider silk: site-specific functionalisation of recombinant spider silk using ‘click’- chemistry. Advanced Materials, 29 . 1604245/1-1604245/5. ISSN 1521-4095

Holland, D.M.P., Powis, Ivan, Trofimov, A.B., Menzies, R.C., Potts, A.W., Karlsson, L., Badsyuk, I.L., Moskovskaya, T.E., Gromov, E.V. and Schirmer, J. (2017) An experimental and theoretical study of the valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine. Journal of Chemical Physics (147). p. 164307. ISSN 1089-7690

Hu, Qin, Sun, Xue-Zhong, Parmenter, Christopher D.J., Fay, Michael W., Smith, Emily F., Rance, Graham A., He, Yinfeng, Zhang, Fan, Liu, Yaan, Irvine, Derek, Tuck, Christopher, Hague, Richard J.M. and Wildman, Ricky D. (2017) Additive manufacture of complex 3D Au-containing nanocomposites by simultaneous two-photon polymerisation and photoreduction. Scientific Reports, 7 . 17150/1-17150/9. ISSN 2045-2322

Huewe, Florian, Steeger, Alexander, Kostova, Kalina, Burroughs, Laurence, Bauer, Irene, Strohriegl, Vladimir, Woodward, Simon and Pflaum, Jens (2017) Low-cost and sustainable organic thermoelectrics based on low-dimensional molecular metals. Advanced Materials . ISSN 1521-4095

Iglesias-Fernández, Javier, Hancock, Susan M., Lee, Seung Seo, Khan, Moala, Kirkpatrick, Jo, Oldham, Neil J., McAuley, Katherine, Fordham-Skelton, Anthony, Rovira, Carme and Davis, Benjamin G. (2017) SNi from SN2: a front-face mechanism ‘synthase’ engineered from a retaining hydrolase. Nature Chemical Biology, 13 . pp. 874-881. ISSN 1552-4450

Inman, Martyn, Dexter, Hannah L. and Moody, Christopher J. (2017) Total synthesis of the cyclic dodecapeptides wewakazole and wewakazole B. Organic Letters, 19 (13). pp. 3454-3457. ISSN 1523-7052

Irons, Tom J.P., Furness, James W., Ryley, Matthew S., Zemen, Jan, Helgaker, Trygve and Teale, Andrew M. (2017) Connections between variation principles at the interface of wave-function and density-functional theories. Journal of Chemical Physics, 147 . 134107/1-134107/7. ISSN 1089-7690

Irons, Tom J.P., Zemen, Jan and Teale, Andrew M. (2017) Efficient calculation of molecular integrals over London atomic orbitals. Journal of Chemical Theory and Computation . ISSN 1549-9626

Jasim, Sarah B., Li, Zhou, Guest, Ellen E. and Hirst, Jonathan D. (2017) DichroCalc: improvements in computing protein circular dichroism spectroscopy in the near-ultraviolet. Journal of Molecular Biology . ISSN 1089-8638

Jin, Jing, Guidi, Sandro, Amara, Zacharias, Selva, Maurizio, George, Michael W. and Poliakoff, Martyn (2017) Continuous niobium phosphate catalysed Skraup reaction for quinoline synthesis from solketal. Green Chemistry, 19 . pp. 2439-2447. ISSN 1463-9262

Judd, Chris J., Haddow, Sarah Louise, Champness, Neil R. and Saywell, Alexander (2017) Ullmann coupling reactions on Ag(111) and Ag(110); substrate influence on the formation of covalently coupled products and intermediate metal-organic structures Metal-Organic Structures. Scientific Reports, 7 (14541). pp. 1-7. ISSN 2045-2322

Kastner, Katharina, Kibler, Alexander J., Karjalainen, Erno, Fernandes, Jesum A., Sans, Victor and Newton, Graham (2017) Redox-active organic-inorganic hybrid polyoxometalate micelles. Journal of Materials Chemistry A, 5 . pp. 11577-11581. ISSN 2050-7496

Ke, Jie, Suleiman, Norhidayah, Sanchez-Vicente, Yolanda, Murphy, Thomas S., Rodriguez, Javier, Ramos, Alfredo, Poliakoff, Martyn and George, Michael W. (2017) The phase equilibrium and density studies of the ternary mixtures of CO2 + Ar + N2 and CO2 + Ar + H2, systems relevance to CCS technology. International Journal of Greenhouse Gas Control, 56 . pp. 55-66. ISSN 1750-5836

Kofman, V., Sarre, Peter, Hibbins, R.E., ten Kate, I.L. and Linnartz, H. (2017) Laboratory spectroscopy and astronomical significance of the fully-benzenoid PAH triphenylene and its cation. Molecular Astrophysics, 7 . pp. 19-26. ISSN 2405-6758

Korolkov, Vladimir V., Baldoni, Matteo, Watanabe, Kenji, Taniguchi, Takashi, Besley, Elena and Beton, Peter H. (2017) Supramolecular heterostructures formed by sequential epitaxial deposition of two-dimensional hydrogen-bonded arrays. Nature Chemistry, 9 . pp. 1191-1197. ISSN 1755-4349

Korolkov, Vladimir V., Timokhin, Ivan G., Haubrichs, Rolf, Smith, Emily F., Yang, Lixu, Yang, Sihai, Champness, Neil R., Schröder, Martin and Beton, Peter H. (2017) Supramolecular networks stabilise and functionalise black phosphorus. Nature Communications, 8 . 1385/1-1385/8. ISSN 2041-1723

Kuramochi, Satoshi, Shiga, Takuya, Cameron, Jamie M., Newton, Graham N. and Oshio, Hiroki (2017) Synthesis, crystal structures and magnetic properties of composites incorporating an Fe(II) spin crossover complex and polyoxometalates. Inorganics, 5 (3). 48/1-48/8. ISSN 2304-6740

Laybourn, Andrea, Katrib, Juliano, Ferrari-John, Rebecca S., Morris, Christopher G., Yang, Sihai, Udoudo, Ofonime, Easun, Timothy L., Dodds, Chris, Champness, Neil R., Kingman, Samuel W. and Schröder, Martin (2017) Metal–organic frameworks in seconds via selective microwave heating. Journal of Materials Chemistry A, 16 (5). pp. 7333-7338. ISSN 2050-7496

Lennox, Matthew J., Bound, Michelle, Henley, Alice and Besley, Elena (2017) The right isotherms for the right reasons?: validation of generic force fields for prediction of methane adsorption in metal-organic frameworks. Molecular Simulation, 43 . pp. 828-837. ISSN 1029-0435

Li, Zhuo and Hirst, Jonathan D. (2017) Quantitative first principles calculations of protein circular dichroism in the near-ultraviolet. Chemical Science . ISSN 2046-2069

Limón, David, Jiménez-Newman, Claire, Calpena, Ana C., Gonzalez-Campo, Arántzazu, Amabilino, David A. and Pérez-García, Lluïsa (2017) Microscale coiling in bis-imidazolium supramolecular hydrogel fibres induced by release of a cationic serine protease inhibitor. Chemical Communications, 53 . pp. 1433-1434. ISSN 1364-548X

Linton, Kirsty A., Wright, Timothy G. and Besley, Nicholas A. (2017) Quantum chemical study of the structure, spectroscopy and reactivity of NO+.(H2O)n=1-5 clusters. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences . ISSN 1471-2962 (In Press)

Manzi, Lucio, Barrow, Andrew, Hopper, Jonathan, Kaminska, Renata, Kleanthous, Colin, Robinson, Carol, Moses, John and Oldham, Neil (2017) Carbene footprinting reveals binding interfaces of a multimeric membrane spanning protein. Angewandte Chemie International Edition, 56 (47). pp. 14873-14877. ISSN 1521-3773

Men, Shuang, Jiang, Jing and Peter, Licence (2017) Spectroscopic analysis of 1-butyl-2,3-dimethylimidazolium ionic liquids: cation-anion interactions. Chemical Physics Letters, 674 . pp. 86-89. ISSN 0009-2614

Men, Shuang and Licence, Peter (2017) Probing the electronic environment of binary and ternary ionic liquid mixtures by x-ray photoelectron spectroscopy. Chemical Physics Letters, 686 . pp. 74-77. ISSN 0009-2614

Men, Shuang and Licence, Peter (2017) Tuning the electronic environment of the anion by using binary ionic liquid mixtures. Chemical Physics Letters, 681 . pp. 40-43. ISSN 0009-2614

Men, Shuang, Lovelock, Kevin and Licence, Peter (2017) X-ray photoelectron spectroscopy of trihalide ionic liquids: comparison to halide-based analogues, anion basicity and beam damage. Chemical Physics Letters, 679 . pp. 207-211. ISSN 0009-2614

Metelkina, Olga N., Lodge, R.W., Rudakovskaya, Polina G., Gerasimov, Vasiliy M., Lucas, Carlos H., Grebennikov, Ivan S., Shchetinin, Igor V., Savchenko, Alexander G., Pavlovskaya, Galina E., Rance, Graham A., Gimenez-Lopez, Maria del Carmen, Khlobystov, Andrei N. and Majouga, Alexander G. (2017) Nanoscale engineering of hybrid magnetite–carbon nanofibre materials for magnetic resonance imaging contrast agents. Journal of Materials Chemistry C, 5 . pp. 2167-2174. ISSN 2050-7496

Miah, Habeeba K., Cresswell, Rosalie, Iuga, Dinu and Titman, Jeremy J. (2017) 1H CSA parameters by ultrafast MAS NMR: measurement and applications to structure refinement. Solid-State Nuclear Magnetic Resonance . ISSN 1527-3326 (In Press)

Mitchell, Nicholas J., Sayers, Jessica, Kulkarni, Sameer S., Clayton, Daniel, Goldys, Anna M., Ripoll-Rozada, Jorge, Barbosa Pereira, Pedro José, Chan, Bun, Radom, Leo and Payne, Richard J. (2017) Accelerated protein synthesis via one–pot ligation–deselenization chemistry. Chem, 2 (5). pp. 703-715. ISSN 2451-9294

Mitsumoto, Kiyotaka, Cameron, Jamie, Wei, Rong Jia, Nishikawa, Hiroyuki, Shiga, Takuya, Nihei, Masayuki, Newton, Graham and Oshio, Hiroki (2017) A multi-redox responsive cyanometalate-based metallogel. Chemistry - a European Journal, 23 (7). pp. 1502-1506. ISSN 1521-3765

Moreau, Florian, Kolokolov, Daniil L., Stepanov, Alexander G., Easun, Timothy L., Dailly, Anne, Lewis, William, Blake, Alexander J., Nowell, Harriett, Lennox, Matthew J., Besley, Elena, Yang, Sihai and Schröder, Martin (2017) Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks. Proceedings of the National Academy of Sciences, 114 (2). pp. 3056-3061. ISSN 1091-6490

Newton, Graham, Oshio, Hiroki, Cameron, Jamie, Fujimoto, Satomi, Kastner, Katharina, Wei, Rong Jia, Robinson, David and Sans, Victor (2017) Orbital engineering: photoactivation of an organofunctionalized polyoxotungstate. Chemistry - a European Journal, 23 (1). pp. 47-50. ISSN 1521-3765

Nicolle, Simon M., Nortcliffe, Andrew, Bartrum, Hannah E., Lewis, William, Hayes, Christopher J. and Moody, Christopher J. (2017) C–H insertion as a key step to spiro-oxetanes, scaffolds for drug discovery. Wiley online library . ISSN 1521-3765

Northall, Sarah J., Buckley, Ryan, Jones, Nathan, Penedo, J. Carlos, Soultanas, Panos and Bolt, Edward L. (2017) DNA binding and unwinding by Hel308 helicase requires dual functions of a winged helix domain. DNA Repair, 57 . pp. 125-132. ISSN 1568-7856

Nouch, Ryan, Cini, Melchior, Magre, Marc, Abid, Mohammed, Diéguez, Monserrat, Pàmies, Oscar, Woodward, Simon and Lewis, William (2017) Enantioselective synthesis of 6,6-disubstituted pentafulvenes containing a chiral pendant hydroxy group. Chemistry - a European Journal . ISSN 1521-3765

Parilti, R., Alaimo, D., Grignard, B., Boury, F., Howdle, S.M. and Jerome, C. (2017) Mild synthesis of poly(HEMA)-networks as well-defined nanoparticles in supercritical carbon dioxide. Journal of Materials Chemistry B, 5 . pp. 5806-5815. ISSN 2050-750X

Partridge, Benjamin M., Callingham, Michael, Lewis, William and Lam, Hon Wai (2017) Arylative intramolecular allylation of ketones with 1,3-enynes enabled by catalytic alkenyl-to-allyl 1,4-Rh(I) migration. Angewandte Chemie International Edition, 56 (25). pp. 7227-7232. ISSN 1521-3773

Parween, Arfa, Naskar, Sumita, Mota, Antonio J., Espinosa Ferao, Arturo, Chattopadhyay, Shyamal Kumar, Rivière, Eric, Lewis, William and Naskar, Subhendu (2017) Ci-Symmetry, [2 × 2] grid, square copper complex with the N4,N5-bis(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide ligand: structure, catecholase activity, magnetic properties and DFT calculations. New Journal of Chemistry, 41 (20). pp. 11750-11758. ISSN 1369-9261

Paschalis, Vasileios, Le Chatelier, Emanuelle, Green, Matthew, Képès, Francois, Soultanas, Panos and Janniere, Laurent (2017) Interactions of the Bacillus subtilis DnaE polymerase with replisomal proteins modulate its activity and fidelity. Open Biology, 7 (9). 170146/1-170146/19. ISSN 2046-2441

Payne, Richard J., Mitchell, Nicholas J., Kulkarni, Sameer S., Wang, Siyao and Malins, Lara (2017) One-pot ligation-oxidative deselenization at selenocysteine and selenocystine. Chemistry - a European Journal, 23 (4). pp. 946-952. ISSN 1521-3765

Pearce, Amanda K., Travanut, Alessandra, Couturaud, Benoit, Taresco, Vincenzo, Howdle, Steven M., Alexander, Morgan R. and Alexander, Cameron (2017) Versatile routes to functional RAFT chain transfer agents through the Passerini multicomponent reaction. ACS Macro Letters, 6 (7). pp. 781-785. ISSN 2161-1653

Pepper, Katie, Masson, Timothé, De Focatiis, Davide S.A. and Howdle, Steven M. (2017) Can a combination of poly(ethylene glycol) and dense phase carbon dioxide improve processing of polylactide? A high pressure rheology investigation. Journal of Supercritical Fluids, 133 (1). pp. 343-348. ISSN 1872-8162

Perez, Eduardo, Tuck, Christopher O. and Poliakoff, Martyn (2017) Valorisation of lignin by depolymerisation and fractionation using supercritical fluids and conventional solvents. Journal of Supercritical Fluids . ISSN 1872-8162

Peris, Edgar, Okafor, Obinna, Kulchinskaja, Evelina, Goodridge, Ruth D., Luis, Santiago V., Garcia-Verdugo, Eduardo, O'Reilly, Elaine and Sans, Victor (2017) Tuneable 3D printed bioreactors for transaminations under continuous-flow. Green Chemistry, 19 (22). pp. 5345-5349. ISSN 1463-9270

Pfeiffer, Constance R., Biggins, Naomi H., Lewis, William and Champness, Neil R. (2017) Nickel(II) metal-organic frameworks with N,N’-di(4-pyridyl)-1,4,5,8-naphthalenetetracarboxydiimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions. CrystEngComm, 19 . pp. 5559-5564. ISSN 1466-8033

Planchestainer, Matteo, Contente, Martina Letizia, Cassidy, Jennifer, Molinari, Francesco, Tamborini, Lucia and Paradisi, Francesca (2017) Continuous flow biocatalysis: production and in-line purification of amines by immobilised transaminase from Halomonas elongata. Green Chemistry, 19 . pp. 372-375. ISSN 1463-9262

Poliakoff, Martyn and Perutz, Robin N. (2017) Tribute to Daedalus: Fertile mind that led to unexpected places. Nature, 549 (7670). p. 31. ISSN 0028-0836

Powis, Ivan, Patanen, Minna, Antonsson, Egill, Nicolas, Christophe, Miron, Catalin and Holland, David M.P. (2017) Vibration dependent branching and photoelectron angular distributions observed across the Cooper minimum region of bromobenzene. Physical Review A, 96 (1). 013413. ISSN 1050-2947

Pudsz, Kaspars, Vembris, A., Rutkis, M. and Woodward, Simon (2017) Thin film organic thermoelectric generator based on tetrathiotetracene. Advanced Electronic Materials . ISSN 2199-160X

Quinn, Samuel, Davies, E. Stephen, Pfeiffer, Constance R., Lewis, William, McMaster, Jonathan and Champness, Neil R. (2017) Core-substituted naphthalene diimides: influence of substituent conformation on strong visible absorption. ChemplusChem, 82 (3). pp. 489-492. ISSN 2192-6506

Reade, Thomas J., Murphy, Thomas S., Calladine, James A., Horvath, Raphael, Clark, Ian P., Greetham, Gregory M., Towrie, Michael, Lewis, William, George, Michael W. and Champness, Neil R. (2017) Photochemistry of framework-supported M(diimine)(CO)₃X complexes in 3D Lithium-Carboxylate metal−organic frameworks: monitoring the effect of framework cations. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences, 375 (2084). pp. 1-17. ISSN 1471-2962

Reimann, Sarah, Borgoo, Alex, Tellgren, Erik I., Teale, Andrew M. and Helgaker, Trygve (2017) Magnetic-field density-functional theory (BDFT): lessons from the adiabatic connection. Journal of Chemical Theory and Computation . ISSN 1549-9626 (In Press)

Reinhard, Marco, Auböck, Gerald, Besley, Nicholas A., Clark, Ian P., Greetham, Gregory M., Hanson-Heine, Magnus W.D., Horvath, Raphael, Murphy, Thomas S., Penfold, Thomas J., Towrie, Michael, George, Michael W. and Chergui, Majed (2017) Photoaquation mechanism of hexacyanoferrate(II) ions: ultrafast 2D UV and transient visible and IR spectroscopies. Journal of the American Chemical Society, 139 (21). pp. 7335-7347. ISSN 1520-5126

Rigby, Sean P., Hasan, Muayad, Stevens, Lee, Williams, Huw E.L. and Fletcher, Robin S. (2017) Determination of pore network accessibility in hierarchical porous solids. Industrial and Engineering Chemisty Research, 56 (50). pp. 14822-14831. ISSN 0888-5885

Saiki, Ryo, Yoshida, Norifumi, Hoshino, Norihisa, Newton, Graham N., Shiga, Takuya and Oshio, Hiroki (2017) An antiferromagnetically coupled heterometal Cu6Fe wheel. Chemistry Letters, 46 (8). pp. 1197-1199. ISSN 0366-7022

Saleh, Maysaa, Laughton, Charles A., Bradshaw, Tracey D. and Moody, Christopher J. (2017) Development of a series of bis-triazoles as G-quadruplex ligands. RSC Advances, 7 . pp. 47297-47308. ISSN 2046-2069

Sathyanarayanan, Gowtham, Rodrigues, Mafalda, Limón, David, Rodriguez-Trujillo, Romén, Puigmartí-Luis, Josep, Pérez-García, Lluïsa and Amabilino, David B. (2017) Drug-loaded supramolecular gels prepared in a microfluidic platform: distinctive rheology and delivery through controlled far-from-equilibrium mixing. ACS Omega, 2 . pp. 8849-8858. ISSN 2470-1343

Sean, Goodwin, Daniel, Smith, Joshua, Gibson, Jones, Robert and Walsh, Darren A. (2017) Electroanalysis of neutral precursors in protic ionic liquids and synthesis of high-ionicity ionic liquids. Langmuir, 33 (34). pp. 3436-8446. ISSN 1520-5827

Sen, Ananya, Pratt, S.T. and Reid, Katharine L. (2017) Circular dichroism in photoelectron images from aligned nitric oxide molecules. Journal of Chemical Physics, 147 . 013927/1-013927/10. ISSN 1089-7690

Sharpe, Helen R., Geer, Ana M., Blundell, Toby J., Hastings, Fiona R., Fay, Michael W., Rance, Graham A., Lewis, William, Blake, Alexander J. and Kays, Deborah L. (2017) Dehydrocoupling of dimethylamine-borane promoted by manganese(II) m-terphenyl complexes. Catalysis Science and Technology, 8 (1). pp. 229-235. ISSN 2044-4753

Sharpe, Helen R., Geer, Ana M., Lewis, William, Blake, Alexander J. and Kays, Deborah L. (2017) Iron(II) catalyzed hydrophosphination of isocyanates. Angewandte Chemie International Edition, 56 (17). pp. 4845-4848. ISSN 1521-3773

Shaw, Daniel, Hill, Rachel, Simpson, Niall, Husseini, Fouad, Robb, Kirsty, Greetham, Gregory M, Towrie, Michael, Parker, Anthony William, Robinson, David, Hirst, Jonathan, Hoskisson, Paul A and Hunt, Neil (2017) Examining the role of protein structural dynamics in drug resistance in Mycobacterium tuberculosis. Chemical Science, 8 . pp. 8384-8399. ISSN 2041-6539

Silaghi-Dumitrescu, Luminita, Attia, Amr A.A., Silaghi-Dumitrescu, Radu, Blake, Alexander J. and Sowerby, D. Bryan (2017) Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S. Inorganica Chimica Acta . ISSN 0020-1693 (In Press)

Stoppiello, Craig T., Biskupek, Johannes, Li, Z.Y., Rance, Graham A., Botos, Akos, Fogarty, Richard M., Bourne, Richard A., Yuan, J., Lovelock, Kevin, Thompson, P., Fay, Mike W., Kaiser, Ute, Chamberlain, Thomas W. and Khlobystov, Andrei N. (2017) A one-pot-one-reactant synthesis of platinum compounds at the nanoscale. Nanoscale, 9 (38). pp. 14385-14394. ISSN 2040-3372

Streng, Emelia S., Lee, Darren S., George, Michael W. and Poliakoff, Martyn (2017) Continuous N-alkylation reactions of amino alcohols using γ-Al2O3 and supercritical CO2: unexpected formation of cyclic ureas and urethanes by reaction with CO2. Beilstein Journal of Organic Chemistry, 13 . pp. 329-337. ISSN 1860-5397

Suess, Christian J., Hirst, Jonathan D. and Besley, Nicholas A. (2017) Quantum chemical calculations of tryptophan→heme electron and excitation energy transfer rates in myoglobin. Journal of Computational Chemistry . ISSN 1096-987X

Summers, Peter A., Calladine, James A., Ibrahim, Nasiru, Kusumo, Kennedy P., Clark, Charlotte A., Sun, Xue-Z., Hamilton, Michelle L., Towrie, Michael, McMaster, Jonathan, Schröder, Martin and George, Michael W. (2017) Probing the use of long lived intra-ligand π-π * excited states for photocatalytic systems: a study of the photophysics and photochemistry of [ReCl(CO)3(dppz-(CH3)2)]. Polyhedron, 123 . pp. 259-264. ISSN 0277-5387

Tailor, Pritesh M., Wheatley, Richard J. and Besley, Nicholas A. (2017) An empirical force field for the simulation of the vibrational spectroscopy of carbon nanomaterials. Carbon, 113 . pp. 299-308. ISSN 0008-6223

Tamborini, Lucia, Fernandes, Pedro, Paradisi, Francesca and Molinari, Francesco (2017) Flow bioreactors as complementary tools for biocatalytic process intensification. Trends in Biotechnology . ISSN 0167-7799

Trofimov, A.B., Holland, D.M.P., Powis, Ivan, Menzies, R.C., Potts, A.W., Karlsson, Lennart, Gromov, E.V., Badsyuk, I.L. and Schirmer, J. (2017) Ionization of pyridine: interplay of orbital relaxation and electron correlation. Journal of Chemical Physics, 146 (24). 244307/1-244307/21. ISSN 1089-7690

Tuttle, William D., Gardner, Adrian M., Andrejeva, Anna, Kemp, David, Wakefield, Jonathan C.A. and Wright, Timothy G. (2017) Consistent assignment of the vibrations of symmetric and asymmetric ortho-disubstituted benzenes. Journal of Molecular Spectroscopy, 344 . pp. 46-60. ISSN 0022-2852

Tuttle, William D., Gardner, Adrian M., O'Regan, Kieran B., Malewicz, William and Wright, Timothy G. (2017) Vibrational and vibrational-torsional interactions in the 0–600 cm-1 region of the S1 ← S0 spectrum of p-xylene investigated with resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. Journal of Chemical Physics, 146 . 124309/1-124309/16. ISSN 1089-7690

Tuttle, William D., Gardner, Adrian M., Whalley, Laura E. and Wright, Timothy G. (2017) Vibration and vibration-torsion levels of the S1 state of para-fluorotoluene in the 580–830 cm-1 range: interactions and coincidences. Journal of Chemical Physics . ISSN 1089-7690 (In Press)

Tuttle, William D., Gardner, Adrian M. and Wright, Timothy G. (2017) Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of p-chlorofluorobenzene. Chemical Physics Letters . ISSN 0009-2614

Tuttle, William D., Thorington, Rebecca L., Viehland, Larry A. and Wright, Timothy G. (2017) Theoretical study of Si+(2PJ)-RG complexes and transport of Si+(2PJ) in RG (RG = He – Ar). Molecular Physics, 115 (4). pp. 437-446. ISSN 1362-3028

Uroos, Maliha, Pitt, Phillip, Harwood, Laurence, Lewis, William, Blake, Alexander J. and Hayes, Christopher J. (2017) Total synthesis of (−)-aritasone via the ultra-high pressure hetero-Diels–Alder dimerisation of (−)-pinocarvone. Organic and Biomolecular Chemistry, 15 (40). pp. 8523-8538. ISSN 1477-0539

Uteva, Elena, Graham, Richard Stuart, Wilkinson, Richard D. and Wheatley, Richard J. (2017) Interpolation of intermolecular potentials using Gaussian processes. Journal of Chemical Physics, 147 . 161706/1-161706/7. ISSN 1089-7690

Vandeginste, Veerle, Stehle, Manuela C., Jourdan, Anne-Lise, Bradbury, Harold J., Manning, Christina and Cosgrove, John W. (2017) Diagenesis in salt dome roof strata: barite - calcite assemblage in Jebel Madar, Oman. Marine and Petroleum Geology . ISSN 1873-4073 (In Press)

Vatsadze, Sergey Z., Krut’ko, Dmitry P., Blake, Alexander J. and Mountford, Philip (2017) Piperazine-based N4-type 16-membered macroheterocycles and their nickel(II) complexes. Macroheterocycles, 10 (1). pp. 98-109. ISSN 1998-9539

Vuckovic, Stefan, Irons, Tom J.P., Wagner, Lucas O., Teale, Andrew M. and Gori-Giorgi, Paola (2017) Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT. Physical Chemistry Chemical Physics, 19 . pp. 6169-6183. ISSN 1463-9084

Walker, Kate E., Rance, Graham A., Pekker, Áron, Tóháti, Hajnalka M., Fay, Michael W., Lodge, Rhys W., Stoppiello, Craig T., Kamarás, Katalin and Khlobystov, Andrei N. (2017) Growth of carbon nanotubes inside boron nitride nanotubes by coalescence of fullerenes: towards the world’s smallest co-axial cable. Small Methods, 1 (9). 1700184/1-1700184/9. ISSN 2366-9608

Weitsman, Gregory, Mitchell, Nicholas J., Evans, Rachel, Cheung, Anthony, Kalber, Tammy L., Bofinger, Robin, Fruhwirth, Gilbert O., Keppler, Melanie, Wright, Zoe V. F., Barber, Paul R., Gordon, Peter, Koning, Tamra de, Wulaningsih, Wahyu, Sander, Kerstin, Vojnovic, Borivoj, Hailes, Helen C., Tabor, Alethea B. and Ng, Tony (2017) Detecting intratumoral heterogeneity of EGFR activity by liposome-based in vivo transfection of a fluorescent biosensor. Oncogene . ISSN 0950-9232

Wester, Anita, Devocelle, Marc, Tallant, E. Ann, Chappell, Mark C., Gallagher, Patricia E. and Paradisi, Francesca (2017) Stabilization of angiotensin-(1-7) by key substitution with a cyclic non-natural amino acid. Amino Acids, 49 (10). pp. 1733-1742. ISSN 1438-2199

Willcox, Darren, Nouch, Ryan, Kingsbury, Alexander, Robinson, David, Carey, Joe V., Brough, Steve and Woodward, Simon (2017) Kinetic analysis of Copper(I)/Feringa-Phosphoramidite Catalysed AlEt3 1,4-Addition to Cyclohex-2-en-1-one. ACS Catalysis . ISSN 2155-5435

Woodward, Simon, Ackermann, Miriam, Ahirwar, Saurabh, Burroughs, Laurence, Robert Garrett, Mary, Ritchie, John, Shine, Jonathan, Tyril, Bjork, Simpson, Kevin and Woodward, Peter (2017) Straightforward synthesis of 2- and 2,8-substituted tetracenes. Chemistry - A European Journal . ISSN 1521-3765

Yan, Yong, Kolokolov, Daniil I., da Silva, Ivan, Stepanov, Alexander G., Blake, Alexander J., Dailly, Anne, Manuel, Pascal, Tang, Chiu C., Yang, Sihai and Schröder, Martin (2017) Porous metal–organic polyhedral frameworks with optimal molecular dynamics and pore geometry for methane storage. Journal of the American Chemical Society, 139 (38). pp. 13349-13360. ISSN 1520-5126

Yap, Connor, Lenagh-Snow, Gabriel M.J., Narayan Karad, Somnath, Lewis, William, Diorazio, Louis J. and Lam, Hon Wai (2017) Enantioselective nickel-catalyzed intramolecular allylic alkenylations enabled by reversible alkenylnickel E/Z isomerization. Angewandte Chemie International Edition, 56 . pp. 8216-8220. ISSN 1521-3773

ZavaKhina, Marina S., Yushina, Irina V., Samsonenko, Denis G., Dybtsev, Danil, Pedin, Vladimir P., Argent, Stephen P., Blake, Alexander J. and Schröder, Martin (2017) Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids. Dalton Transactions, 46 . pp. 465-470. ISSN 1477-9234

Zhang, Fan, Hu, Q., Castanon, A., He, Y., Liu, Y., Paul, B.T., Tuck, C.J., Hague, Richard J.M. and Wildman, Ricky D. (2017) Multi-branched benzylidene ketone based photoinitiators for multiphoton fabrication. Additive Manufacturing, 16 . pp. 206-212. ISSN 2214-8604

Zhu, Shaoqun, Pathigoolla, Atchutarao, Lowe, Grace, Walsh, Darren A., Cooper, Mick, Lewis, William and Lam, Hon Wai (2017) Sulfonylative and azidosulfonylative cyclizations by visible-light-photosensitization of sulfonyl azides in THF. Chemistry - A European Journal, 23 (69). pp. 17598-17604. ISSN 1521-3765

van Munster, Jolanda M., Thomas, Baptiste, Riese, Michel, Davis, Andrienne L., Gray, Christopher J., Archer, David B. and Flitsch, Sabine L. (2017) Application of carbohydrate arrays coupled with mass spectrometry to detect activity of plant-polysaccharide degradative enzymes from the fungus Aspergillus niger. Scientific Reports, 7 (43117). pp. 1-13. ISSN 2045-2322

2016

Adlington, Kevin, Nguyen, Nam T., Eaves, Elizabeth, Yang, Jing, Chang, Chien-Yi, Li, Jianing, Gower, Alexandra L., Stimpson, Amy, Anderson, Daniel G., Langer, Robert, Davies, Martyn C., Hook, Andrew L., Williams, Paul, Alexander, Morgan R. and Irvine, Derek J. (2016) Application of targeted molecular and material property optimization to bacterial attachment-resistant (meth)acrylate polymers. Biomacromolecules, 17 (9). pp. 2830-2838. ISSN 1526-4602

Andrejeva, Anna, Gardner, Adrian M., Tuttle, William D. and Wright, Timothy G. (2016) Consistent assignment of the vibrations of symmetric and asymmetric para-disubstituted benzene molecules. Journal of Molecular Spectroscopy . ISSN 0022-2852

Argent, Stephen P., Tarassova, Irina, Greenaway, Alex, Nowell, Harriot, Barnett, Sarah A., Warren, Mark R., Tang, Chiu C., Morris, Christopher G., Lewis, William, Champness, Neil R., Schröder, Martin and Blake, Alexander J. (2016) Assembly of high nuclearity clusters from a family of tripodal tris-carboxylate ligands. Polyhedron, 120 . pp. 18-29. ISSN 1873-3719

Asiani, Karishma R., Williams, Huw, Bird, Louise, Jenner, Matthew, Searle, Mark S., Hobman, Jon L., Scott, David J. and Soultanas, Panos (2016) SilE is an intrinsically disordered periplasmic "molecular sponge" involved in bacterial silver resistance. Molecular Microbiology, 101 (5). pp. 731-42. ISSN 1365-2958

Asiani, Karishma R., Williams, Huw Edward Llewelyn, Bird, Louise, Jenner, Matthew, Searle, Mark S., Hobman, Jon L., Scott, David J. and Soultanas, Panos (2016) SilE is an intrinsically disordered periplasmic ‘molecular sponge' involved in bacterial silver resistance. Molecular Microbiology . ISSN 1365-2958

Balahmar, Norah, Lowbridge, Alexander M. and Mokaya, Robert (2016) Templating of carbon in zeolites under pressure: synthesis of pelletized zeolite templated carbons with improved porosity and packing density for superior gas (CO2 and H2) uptake properties. Journal of Materials Chemistry A, 4 (37). pp. 14254-14266. ISSN 2050-7496

Balakrishnan, Nilanthy, Staddon, Christopher R., Smith, Emily F., Stec, Jakub, Gay, Dean, Mudd, Garry W., Makarovsky, Oleg, Kudrynskyi, Zakhar R., Kovalyuk, Zakhar D., Eaves, Laurence, Patanè, Amalia and Beton, Peter H. (2016) Quantum confinement and photoresponsivity of β-In2Se3 nanosheets grown by physical vapour transport. 2D Materials . ISSN 2053-1583 (In Press)

Bartlett, Philip N., Burt, Jennifer, Cook, David A., Cummings, Charles Y., George, Michael W., Hector, Andrew L., Hasan, Mahboba M., Ke, Jie, Levason, William, Pugh, David, Reid, Gillian, Richardson, Peter W., Smith, David C., Spencer, Joe and Zhang, Wenjian (2016) A versatile electrolyte system for electrodeposition of p-block elements from single ohase supercritical CH2F2. Chemistry - a European Journal, 22 (1). pp. 302-309. ISSN 1521-3765

Barton, Naomi A., Marsh, Benjamin J., Lewis, William, Narraidoo, Nathalie, Seymour, Graham B., Fray, Rupert George and Hayes, Christopher J. (2016) Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway? Chemical Science, 7 (5). pp. 3102-3107. ISSN 2041-6539

Beckert, Julia, Vandeginste, Veerle and John, Cedric M. (2016) Relationship between karstification and burial dolomitization in Permian platform carbonates (Lower Khuff - Oman). Sedimentary Geology, 342 . pp. 165-179. ISSN 0037-0738

Benson, Oguarabau, Da Silva, Ivan, Argent, Stephen P., Cabot, Rafel, Savage, Mathew, Godfrey, Harry G.W., Yan, Yong, Parker, Stewart F., Manuel, Pascal, Lennox, Matthew J., Mitra, Tamoghna, Easun, Timothy L., Lewis, William, Blake, Alexander J., Besley, Elena, Yang, Sihai and Schröder, Martin (2016) Amides do not always work: observation of guest binding in an amide-functionalised porous host. Journal of the American Chemical Society, 138 (45). pp. 14828-14831. ISSN 1520-5126

Besley, Nicholas A. (2016) Fast time-dependent density functional theory calculations of the x-ray absorption spectroscopy of large systems. Journal of Chemical Theory and Computation, 12 (10). pp. 5018-5025. ISSN 1549-9626

Bikas, Rahman, Lippolis, Vito, Noshiranzadeh, Nader, Farzaneh-Bonab, Hossein, Blake, Alexander J., Siczek, Milosz, Hosseini-Monfared, Hassan and Lis, Tadeusz (2016) Electronic effects of aromatic rings on the catalytic activity of ‎dioxidomolybdenum(VI)-hydrazone complexes. European Journal of Inorganic Chemistry . ISSN 1099-0682 (In Press)

Blundell, R. K., Delorme, A., Smith, E. F. and Licence, P. (2016) An ARXPS and ERXPS study of quaternary ammonium and phosphonium ionic liquids: utilising a high energy Ag Lα’ X-ray source. Physical Chemistry Chemical Physics . ISSN 1463-9076 (In Press)

Botos, Akos, Biskupek, Johannes, Chamberlain, Thomas W., Rance, Graham A., Stoppiello, Craig T., Sloan, Jeremy, Liu, Zheng, Suenaga, Kazutomo, Kaiser, Ute and Khlobystov, Andrei N. (2016) Carbon nanotubes as electrically active nanoreactors for multi-step inorganic synthesis: sequential transformations of molecules to nanoclusters, and nanoclusters to nanoribbons. Journal of the American Chemistry Society, 138 (26). pp. 8175-8183. ISSN 1520-5126

Buragohain, Mridusmita, Pathak, Amit, Sarre, Peter, Onaka, Takashi and Sakon, Itsuki (2016) Mid-infrared vibrational study of deuterium-containing PAH variants. Planetary and Space Science, 133 . pp. 97-106. ISSN 0032-0633

Burroughs, Laurence, Ritchie, John and Woodward, Simon (2016) Understanding anionic Chugaev elimination in pericyclic tetracene formation. Tetrahedron, 72 (13). pp. 1686-1689. ISSN 0040-4020

Cho, Yong-Jin, Summerfield, Alex, Davies, Andrew, Cheng, Tin S., Smith, Emily F., Mellor, Christopher J., Khlobystov, Andrei N., Foxon, C. Thomas, Eaves, Laurence, Beton, Peter H. and Novikov, Sergei V. (2016) Hexagonal boron nitride tunnel barriers grown on graphite by high temperature molecular beam epitaxy. Scientific Reports, 6 . 34474/1-34474/6. ISSN 2045-2322

Cini, Melchior, Williams, Huw Edward Llewelyn, Fay, Mike W., Searle, Mark, Woodward, Simon and Bradshaw, Tracey D. (2016) Enantiopure titanocene complexes: direct evidence for paraptosis in cancer cells. Metallomics . ISSN 1756-591X

Clarke, Christopher, Incerti-Pradillos, Celia A. and Lam, Hon Wai (2016) Enantioselective nickel-catalyzed anti-carbometallative cyclizations of alkynyl electrophiles enabled by reversible alkenylnickel E/Z isomerization. Journal of the American Chemical Society, 138 (26). pp. 8068-8071. ISSN 1520-5126

Comak, Gurbuz, Foltran, Stéphanie, Ke, Jie, Pérez, Eduardo, Sánchez-Vicente, Yolanda, George, Michael W. and Poliakoff, Martyn (2016) A synthetic-dynamic method for water solubility measurements in high pressure CO2 using ATR–FTIR spectroscopy. The Journal of Chemical Thermodynamics, 93 . pp. 386-391. ISSN 0021-9614

Contente, Martina Letizia, Planchestainer, Matteo, Molinari, Francesco and Paradisi, Francesca (2016) Stereoelectronic effects in the reaction of aromatic substrates catalysed by Halomonas elongata transaminase and its mutants. Organic and Biomolecular Chemistry, 14 . pp. 9306-9311. ISSN 1477-0539

Corrie, Tom J.A., Ball, Liam T., Russell, Christopher A. and Lloyd-Jones, Guy C. (2016) Au-catalyzed biaryl coupling to generate 5- to 9-membered rings: turnover-limiting reductive elimination versus π-complexation. Journal of the American Chemical Society . ISSN 1520-5126

Cully, Sarah J., Storr, Thomas E., Rawling, Michael J., Abeysena, Induka R., Hamza, Daniel, Jones, Geraint, Pearce, Christopher A., Quddus, Abdul, Lewis, William and Stockman, Robert A. (2016) Expedient synthesis of an atypical oxazolidinone compound library. Bioorganic and Medicinal Chemistry . ISSN 1464-3391

Cully, Sarah J., Storr, Thomas E., Rawling, Michael J., Abeysena, Induka R., Hamza, Daniel, Jones, Geraint, Pearce, Christopher A., Quddus, Abdul, Lewis, William and Stockmand, Robert A. (2016) Expedient synthesis of an atypical oxazolidinone compound library. Bioorganic and Medicinal Chemistry, 24 (21). pp. 5249-5257. ISSN 1464-3391

Curia, Silvio and Howdle, Steven M. (2016) Towards sustainable polymeric nano-carriers and surfactants: facile low temperature enzymatic synthesis of bio-based amphiphilic copolymers in scCO2. Polymer Chemistry . ISSN 1759-9962

Daly, Stephen, Tia, Maurice, Garcia, Gustavo A., Nahon, Laurent and Powis, Ivan (2016) The interplay between conformation and absolute configuration in chiral electron dynamics of small diols. Angewandte Chemie International Edition . ISSN 1433-7851

Day, Jonathan, McKeever-Abbas, Ben and Dowden, James (2016) Stereoselective synthesis of tetrahydroindolizines via catalytic formation of pyridinium ylides from diazo compounds. Angewandte Chemie International Edition, 55 (19). pp. 5809-5813. ISSN 1521-3773

DeLaney, Erica N., Lee, Darren S., Elliott, Luke D., Jin, Jing, Booker-Milburn, Kevin, Poliakoff, Martyn and George, Michael W. (2016) A laboratory-scale annular continuous flow reactor for UV photochemistry using excimer lamps for discrete wavelength excitation and its use in a wavelength study of a photodecarboxlyative cyclisation. Green Chemistry, 6 (19). pp. 1431-1438. ISSN 1463-9262

Dean, William Michael, Mindaugas, Šiaučiulis, Storr, Thomas E., Lewis, William and Stockman, Robert A. (2016) Versatile C(sp2)−C(sp3) ligand couplings of sulfoxides for the enantioselective synthesis of diarylalkanes. Angewandte Chemie International Edition, 55 (34). pp. 10013-10016. ISSN 1521-3773

Do, Hainam, Feng, Chao, Schultz, Andrew J., Kofke, David A. and Wheatley, Richard J. (2016) Calculation of high-order virial coefficients for the square-well potential. Physical Review E, 94 (1). 013301/1-013301/5. ISSN 1550-2376

Eccleshare, Lee, Lozada-Rodriguez, Leticia, Cooper, Phillippa, Burroughs, Laurence, Ritchie, John, Lewis, William and Woodward, Simon (2016) Diversification of ortho-fused cycloocta-2,5-dien-1-one cores and 8 to 6-Ring conversion by sigma bond C-C cleavage. Chemistry - a European Journal, 22 (35). pp. 12542-12547. ISSN 1521-3765

Fearnley, A.F., An, J., Jackson, M., Lindovska, P. and Denton, R.M. (2016) Synthesis of quaternary aryl phosphonium salts: photoredox-mediated phosphine arylation. Chemical Communications, 52 . pp. 4987-4990. ISSN 1364-548X

Floris, Andrea, Haq, Sam, Veld, Mendel In't, Amabilino, David A., Raval, Rasmita and Kantorovich, Lev (2016) Driving forces for covalent assembly of porphyrins by selective C-H bond activation and intermolecular coupling on a copper surface. Journal of the American Chemical Society, 138 (18). pp. 5837-5847. ISSN 1520-5126

Furness, James W., Ekström, Ulf, Helgaker, Trygve and Teale, Andrew M. (2016) Electron localisation function in current-density-functional theory. Molecular Physics, 114 (7-8). pp. 1415-1422. ISSN 1362-3028

Gardner, Adrian M., Tuttle, William D., Whalley, Laura, Clayton, Andrew, Carter, Joseph H. and Wright, Timothy G. (2016) Torsion and vibration-torsion levels of the S1 and ground cation electronic states of para-fluorotoluene. Journal of Chemical Physics, 145 (124307). pp. 1-23. ISSN 1089-7690

Ghumman, Afshan and Robinson, David (2016) Modulation of the turkey β1-adrenergic receptor by membrane rafts: insight from molecular dynamics. ChemistrySelect, 1 (14). pp. 4274-4276. ISSN 2365-6549

Gimenez-Lopez, Maria del Carmen, Kurtoglu, Abdullah, Walsh, Darren A. and Khlobystov, Andrei N. (2016) Extremely stable platinum-amorphous carbon electrocatalyst within hollow graphitized carbon nanofibers for the oxygen reduction reaction. Advanced Materials, 28 (41). pp. 9103-9108. ISSN 1521-4095

Goddard, Amy R., Pérez-Nieto, Sara, Passos, Thayse Marques, Quilty, Brid, Carmichael, Kim, Irvine, Derek J. and Howdle, Steven M. (2016) Controlled polymerisation and purification of branched poly(lactic acid) surfactants in supercritical carbon dioxide. Green Chemistry . ISSN 1463-9270

Gomm, Andrew, Lewis, William, Green, Anthony P. and O'Reilly, Elaine (2016) A new generation of smart amine donors for transaminase-mediated biotransformations. Chemistry - a European Journal . ISSN 1521-3765

Goode, Alice, Butler, Kevin, Long, Jed, Cavey, James, Daniel, Scott, Shaw, Barry, Sollenberger, Jill, Gell, Christopher, Johansen, Terje, Oldham, Neil J., Searle, Mark and Layfield, Robert (2016) Defective recognition of ATG8/LC3B by mutant SQSTM1/p62 implicates impairment of autophagy as a pathogenic mechanism in ALS-FTLD. Autophagy, 12 (7). ISSN 1554-8627

Goode, Alice, Butler, Kevin, Long, Jed, Cavey, James, Scott, Daniel, Shaw, Barry, Sollenberger, Jill, Gell, Christopher, Johansen, Terje, Oldham, Neil J., Searle, Mark S. and Layfield, Robert (2016) Defective recognition of LC3B by mutant SQSTM1/p62 implicates impairment of autophagy as a pathogenic mechanism in ALS-FTLD. Autophagy . ISSN 1554-8635 (In Press)

Goodwin, Sean E. and Walsh, Darren A. (2016) Hydrogen electrooxidation under conditions of high mass transport in room-temperature ionic liquids and the role of underpotential-deposited hydrogen. Journal of Physical Chemistry C, 120 (21). pp. 11498-11507. ISSN 1932-7455

Green, Matthew, Hatter, Louise, Brookes, Emre, Soultanas, Panos and Scott, David J. (2016) Defining the intrinsically disordered C-terminal domain of SSB reveals DNA-mediated compaction. Journal of Molecular Biology, 428 (2). pp. 357-364. ISSN 1089-8638

Gregson, Matthew, Lu, Erli, Tuna, Floriana, McInnes, Eric J.L., Hennig, Christoph, Scheinost, Andreas C., McMaster, Jonathan, Lewis, William, Blake, Alexander J., Kerridge, Andrew and Liddle, Stephen T. (2016) Emergence of comparable covalency in isostructural cerium(IV)- and uranium(IV)-carbon multiple bonds. Chemical Science . ISSN 2046-2069

Haffner-Staton, Ephraim, Balahmar, Norah and Mokaya, Robert (2016) High yield and high packing density porous carbon for unprecedented CO2 capture from the first attempt at activation of air-carbonized biomass. Journal of Materials Chemistry, 4 (34). pp. 13324-13335. ISSN 1364-5501

Hanson-Heine, Magnus W.D., Husseini, Fouad S., Hirst, J.D. and Besley, Nicholas A. (2016) Simulation of the two-dimensional infrared spectroscopy of peptides using localized normal modes. Journal of Chemical Theory and Computation, 12 (4). pp. 1905-1918. ISSN 1549-9626

Henley, Alice, Lennox, Matthew J., Easun, Timothy L., Moreau, Florian, Schröder, Martin and Besley, Elena (2016) Computational evaluation of the impact of incorporated nitrogen and oxygen heteroatoms on the affinity of polyaromatic ligands for carbon dioxide and methane in metal–organic frameworks. Journal of Physical Chemistry C, 48 (120). pp. 27342-27348. ISSN 1932-7455

Horvath, Raphael, Huff, Gregory S., Gordon, Keith C. and George, Michael W. (2016) Probing the nature and reactivity of coordination complexes with blended organic and inorganic chromophores using vibrational spectroscopy. Coordination Chemistry Reviews, 325 . pp. 41-58. ISSN 0010-8545

Hurd, Catherine A., Besley, Nicholas A. and Robinson, David (2016) A QM/MM study of the nature of the entatic state in plastocyanin. Journal of Computational Chemistry . ISSN 1096-987X

Husseini, Fouad S., Robinson, David, Hunt, Neil T., Parker, Anthony W. and Hirst, J.D. (2016) Computing infrared spectra of proteins using the exciton model. Journal of Computational Chemistry, 38 (16). pp. 1362-1375. ISSN 1096-987X

Irons, Tom J.P. and Teale, Andrew M. (2016) The coupling constant averaged exchange–correlation energy density. Molecular Physics, 114 (3-4). pp. 484-497. ISSN 1362-3028

Isahak, Naatasha, Gody, Guillaume, Malins, Lara R., Mitchell, Nicholas J., Payne, Richard J. and Perrier, Sebastien (2016) Single addition of an allyl amine monomer enables access to end-functionalized RAFT polymers via native chemical ligation. Chemical Communications, 52 . pp. 12952-12955. ISSN 1364-548X

Jenner, Matthew, Afonso, José P., Kohlhaas, Christoph, Karbaum, Petra, Frank, Sarah, Piel, Jörn and Oldham, Neil J. (2016) Acyl hydrolases from trans-AT polyketide synthases target acetyl units on acyl carrier proteins. Chemical Communications, 52 (30). pp. 5262-5265. ISSN 1364-548X

Jennings, James, He, Guping, Howdle, Steven M. and Zetterlund, Per B. (2016) Block copolymer synthesis by controlled/living radical polymerisation in heterogeneous systems. Chemical Society Reviews . ISSN 1460-4744

Kakde, Deepak, Powell, Leagh G., Bansal, Kuldeep K., Howdle, Steve, Irvine, Derek, Mantovani, Giuseppe, Millar, Gavin, Dailey, Lea Ann, Stone, Vicki, Johnston, Helinor J. and Alexander, Cameron (2016) Synthesis, characterization and evaluation of in vitro toxicity in hepatocytes of linear polyesters with varied aromatic and aliphatic co-monomers. Journal of Controlled Release, 244 (B). pp. 214-228. ISSN 1873-4995

Kakde, Deepak, Taresco, Vincenzo, Bansal, Kuldeep Kumar, Magennis, E. Peter, Howdle, Steven M., Mantovani, Giuseppe, Irvine, Derek J. and Alexander, Cameron (2016) Amphiphilic block copolymers from a renewable Ɛ-decalactone monomer: prediction and characterization of micellar core effects on drug encapsulation and release. Journal of Materials Chemistry B, 44 . pp. 7119-7129. ISSN 2050-750X

Kapranas, Apostolos, Snart, Charles J.P., Williams, Huw Edward Llewelyn, Hardy, Ian C.W. and Barrett, David A. (2016) Metabolomics of aging assessed in individual parasitoid wasps. Scientific Reports, 6 . p. 34848. ISSN 2045-2322

Khan, Dilfaraz, Khan, Shafiullah, Badshah, Syed, Ullah, Hazrat, Ullah, Hamid, Muhammad, Zia and Woodward, Simon (2016) New furocarbazole alkaloids from Lonicera quinquelocularis. Natural Product Research, 30 (1). pp. 74-78. ISSN 1478-6427

King, David M., Cleaves, Peter A., Wooles, Ashley J., Gardner, Benedict. M., Chilton, Nicholas F., Tuna, Floriana, Lewis, William, McInnes, Eric J.L. and Liddle, Stephen T. (2016) Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes. Nature Communications, 7 (13773). pp. 1-14. ISSN 2041-1723

Korkis, Stamatis E., Burns, David J. and Lam, Hon Wai (2016) Rhodium-catalyzed oxidative C–H allylation of benzamides with 1,3-dienes by allyl-to-allyl 1,4-Rh(III) migration. Journal of the American Chemical Society . ISSN 1520-5126

Laybourn, Andrea, Katrib, Juliano, Palade, Paula A., Easun, Timothy L., Champness, Neil R., Schröder, Martin and Kingman, Samuel W. (2016) Understanding the electromagnetic interaction of metal organic framework reactants in aqueous solution at microwave frequencies. Physical Chemistry Chemical Physics, 18 (7). pp. 5419-5431. ISSN 1463-9084

Lebedeva, Maria A., Chamberlain, Thomas W., Scattergood, Paul A., Delor, Milan, Sazanovich, Igor V., Davies, E. Stephen, Suyetin, Mikhail, Besley, Elena, Schröder, Martin, Weinstein, Julia A. and Khlobystov, Andrei N. (2016) Stabilising the lowest energy charge-separated state in a {metal chromophore - fullerene} assembly: a tuneable panchromatic absorbing donor-acceptor triad. Chemical Science, 9 . pp. 5908-5921. ISSN 2041-6539

Lebedeva, Maria A., Chamberlain, Thomas W., Thomas, Alice, Thomas, Bradley E., Stoppiello, Craig T., Volkova, Evgeniya, Suyetin, Mikhail and Khlobystov, Andrei N. (2016) Chemical reactions at the graphitic step-edge: changes in product distribution of catalytic reactions as a tool to explore the environment within carbon nanoreactors. Nanoscale, 8 (22). pp. 11727-11737. ISSN 2040-3372

Lee, Darren S., Durán-Peña, Maria Jesus, Burroughs, Laurence and Woodward, Simon (2016) Efficient preparation of TMSCCl2Br and its use in dichlorocyclopropanation of electron deficient alkenes. Chemistry - a European Journal, 2016 (22). ISSN 1521-3765

Lennox, Matthew J. and Düren, Tina (2016) Understanding the kinetic and thermodynamic origins of xylene separation in UiO-66(Zr) via molecular simulation. Journal of Physical Chemistry C . ISSN 1932-7455 (In Press)

Lester, Roy P., Bham, Travis, Bousfield, Thomas W., Lewis, William and Camp, Jason E. (2016) Exploring the reactivity of 2-trichloromethylbenzoxazoles for access to substituted benzoxazoles. Journal of Organic Chemistry, 84 (24). pp. 12472-12477. ISSN 1520-6904

Lindgren, Eric B., Stamm, Benjamin, Chan, Ho-Kei, Maday, Yvon, Stace, Anthony J. and Besley, Elena (2016) The effect of like-charge attraction on aerosol growth in the atmosphere of Titan. Icarus . ISSN 0019-1035 (In Press)

Longo Jr, Luiz S., Smith, Emily F. and Licence, Peter (2016) Study of the stability of 1alkyl-3-methylimidazolium hexafluoroantimonate(V) based ionic liquids using xray photoelectron spectroscopy. ACS Sustainable Chemistry and Engineering . ISSN 2168-0485

Lu, Erli, Tuna, Floriana, Lewis, William, Kaltsoyannis, Nikolas and Liddle, Stephen T. (2016) Uranium Metalla-Allenes with Carbene Imido R2C=UIV=NR′ Units (R=Ph2PNSiMe3; R′=CPh3): Alkali-Metal-Mediated push–pull effects with an Amido Auxiliary. Chemistry - A European Journal, 22 (33). pp. 11554-11558. ISSN 1521-3765

Luza, Leandro, Rambor, Camila P., Gual, Aitor, Bernardi, Fabiano, Domingos, Josiel B., Thomas, Grehl, Bruner, Philipp and Dupont, Jairton (2016) Catalytically active membrane-like devices: ionic liquid-hybrid organosilicas decorated with palladium nanoparticles. ACS Catalysis, 6 . pp. 6478-6486. ISSN 2155-5435

Manzi, Lucio, Barrow, Andrew S., Scott, Daniel, Layfield, Robert, Wright, Timothy G., Moses, John E. and Oldham, Neil J. (2016) Carbene footprinting accurately maps binding sites in protein–ligand and protein–protein interactions. Nature Communications, 7 (13288). ISSN 2041-1723

Martin, Adam D., Easun, Timothy L., Argent, Stephen P., Lewis, William, Blake, Alexander J. and Schröder, Martin (2016) The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene. CrystEngComm, 19 . pp. 603-607. ISSN 1466-8033

Matabosch Coromina, Helena, Adeniran, Beatrice, Mokaya, Robert and Walsh, Darren A. (2016) Bridging the performance gap between electric double-layer capacitors and batteries with high-energy/high-power carbon nanotube-based electrodes. Journal of Materials Chemistry A, 4 (38). pp. 14586-14594. ISSN 2050-7488

McAllister, Thomas D., Farrand, Louise D. and Howdle, Steven M. (2016) Improved particle size control for the dispersion polymerization of methyl methacrylate in supercritical carbon dioxide. Macromolecular Chemistry and Physics . ISSN 1521-3935

Men, Shuan, Lovelock, Kevin and Licence, Peter (2016) X-ray photoelectron spectroscopy as a probe of rhodium-ligand interaction in ionic liquids. Chemical Physics Letters (645). pp. 53-58. ISSN 0009-2614

Meng, Qing-Yang, Pepper, Katie, Cheng, Rui-Hua, Howdle, Steven M. and Liu, Bo-Ping (2016) Effect of supercritical CO2 on the copolymerization behavior of cyclohexene oxide/CO2 and copolymer properties with DMC/salen-Co(III) catalyst system. Journal of Polymer Science Part A: Polymer Chemistry . ISSN 1099-0518

Moragas, Toni, Liffey, Ryan M., Regentova, Dominika, Ward, Jon-Paul, Dutton, Justine, Lewis, William, Churcher, Ian, Walton, Lesley, Souto, J.A. and Stockman, Robert A. (2016) Sigmatropic rearrangement of vinyl aziridines: expedient synthesis of cyclic sulfoximines from chiral sulfinimines. Angewandte Chemie International Edition, 55 (34). pp. 10047-10051. ISSN 1521-3773

Mulholland, Sam, Turpin, Eleanor R., Bonev, Boyan B. and Hirst, J.D. (2016) Docking and molecular dynamics simulations of the ternary complex nisin2:lipid II. Scientific Reports, 6 (21185). pp. 1-11. ISSN 2045-2322

Nahon, Laurent, Nag, Lipsa, Garcia, Gustavo A., Myrgorodska, Iuliia, Meirerhenrich, Uwe, Beaulieu, Samuel, Wanie, Vincent, Blanchet, Valerie, Geneaux, Romain and Powis, Ivan (2016) Determination of accurate electron chiral asymmetries in fenchone and camphor in the VUV range: sensitivity to isomerism and enantiomeric purity. Physical Chemistry Chemical Physics . ISSN 1463-9084

Newton, Graham, Hoshino, Norihisa, Matsumoto, Takuto, Shiga, Takuya, Nakano, Motohiro, Nojiri, Hiroyuki, Furukawa, Yuji and Oshio, Hiroki (2016) Studies on the magnetic ground state of a spin Möbius strip. Chemistry - a European Journal, 22 (40). pp. 14205-14212. ISSN 1521-3765

Nicolle, Simon M., Lewis, William, Hayes, Christopher J. and Moody, Christopher J. (2016) Stereoselective synthesis of functionalized pyrrolidines by the diverted NH insertion reaction of metallocarbenes with β-aminoketone derivatives. Angewandte Chemie International Edition, 55 (11). pp. 3749-3753. ISSN 1433-7851

Noori, Mohammed, Aragones, Albert C., Di Palma, Giuseppe, Darwish, Nadium, Bailey, Steven W.D., Al-Galiby, Quisy, Grace, Iain, Amabilino, David B., Gonzalez-Campo, Arántzazu, Díez-Pérez, Ismael and Colin J., Lambert (2016) Tuning the electrical conductance of metalloporphyrin supramolecular wires. Scientific Reports, 6 . 37352/1-37352/7. ISSN 2045-2322

Northall, Sarah J, Ivančić-Baće, Ivana, Soultanas, Panos and Bolt, Edward L (2016) Remodeling and control of homologous recombination by DNA helicases and translocases that target recombinases and synapsis. Genes, 7 (8). 52/1-52/12. ISSN 2073-4425

O'Connor, Alice E., Mirzadeh, Nedaossadat, Bhargava, Suresh, Easun, Timothy L., Schröder, Martin and Blake, Alexander J. (2016) Aurophilicity under pressure: a combined crystallographic and in-situ spectroscopic study. Chemical Communications, 52 . pp. 6769-6772. ISSN 1364-548X

Orte, Angel, Debroye, Elke, Ruedas-Rama, Maria J., Garcia-Fernandez, Emilio, Robinson, David, Crovetto, Luis, Talavera, Eva M., Alvarez-Pez, Jose M., Leen, Volker, Verbelen, Bram, Dias de Rezende, Lucas Cunha, Dehaen, Wim, Hofkens, Johan, Van der Auweraer, Mark and Boens, Noël (2016) Effect of the substitution position (2, 3 or 8) on the spectroscopic and photophysical properties of BODIPY dyes with a phenyl, styryl or phenylethynyl group. RSC Advances, 6 . pp. 102899-102913. ISSN 2046-2069

Palframan, Matthew J., Alharthy, Rima D., Powalowska, Paulina K. and Hayes, Christopher J. (2016) Synthesis of triazole-linked morpholino oligonucleotides via Cu1 catalysed cycloaddition. Organic and Biomolecular Chemistry, 14 . pp. 3112-3119. ISSN 1477-0520

Pop, Flavia, Lewis, William and Amabilino, David B. (2016) Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption. CrystEngComm, 18 (46). pp. 8933-8943. ISSN 1466-8033

Rafiee Fanood, Mohammad M., Janssen, Maurice M. H. and Powis, Ivan (2016) Wavelength dependent photoelectron circular dichroism of limonene studied by femtosecond multiphoton laser ionization and electron-ion coincidence imaging. Journal of Chemical Physics, 145 (124320). 124320/1-124320/12. ISSN 1089-7690

Roper, Ian P.E. and Besley, Nicholas A. (2016) The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the X-ray emission spectroscopy of transition metal complexes. Journal of Chemical Physics, 144 . 114104/1-114104/9. ISSN 1089-7690

Ryan, James, Šiaučiulis, Mindaugas, Gomm, Andrew, Macia, Beatriz, O'Reilly, Elaine and Caprio, Vittorio (2016) Transaminase triggered aza-Michael approach for the enantioselective synthesis of piperidine scaffolds. Journal of the American Chemical Society, 138 (49). pp. 15798-15800. ISSN 1520-5126

Sadoon, Ahmed M., Sarma, Gautam, Cunningham, Ethan M., Tandy, Jon, Hanson-Heine, Magnus W.D., Besley, Nicholas A., Yang, Shengfu and Ellis, Andrew M. (2016) Infrared spectroscopy of NaCl(CH3OH)n complexes in helium nanodroplets. Journal of Physical Chemistry A, 120 (41). pp. 8085-8092. ISSN 1520-5215

Sainz, M.F., Souto, J.A., Regentova, D., Johansson, M.K.G., Timhagen, S.T., Irvine, Derek J., Buijsen, P., Koning, C.E., Stockman, R.A. and Howdle, Steven M. (2016) A facile and green route to terpene derived acrylate and methacrylate monomers and simple free radical polymerisation to yield new renewable polymers and coatings. Polymer Chemistry, 7 . pp. 2882-2887. ISSN 1759-9962

Sakurai, Takahiro, Saiki, Ryo, Wei, Rong Jia, Newton, Graham, Shiga, Takuya and Oshio, Hiroki (2016) Oxalate-bridged heterometallic chains with monocationic dabco derivatives. Dalton Transactions, 45 . pp. 16182-16189. ISSN 1477-9234

Sanduleac, Ionel and Casian, Anatolie (2016) Nanostructured TTT(TCNQ)2 organic crystals as promising thermoelectric n-type materials: 3D modeling. Journal of Electronic Materials, 45 (3). pp. 1316-1320. ISSN 1543-186X

Saquet, N., Holland, D.M.P., Pratt, S.T., Cubaynes, D., Tang, X., Garcia, G.A., Nahon, Laurent and Reid, Katharine L. (2016) Effect of electronic angular momentum exchange on photoelectron anisotropy following the two-colour ionization of krypton atoms. Physical Review A, 93 (3). 033419/1-033419/11. ISSN 1094-1622

Saska, J., Lewis, W., Paton, R.S. and Denton, R.M. (2016) Synthesis of malhamensilipin A exploiting iterative epoxidation/chlorination: experimental and computational analysis of epoxide-derived chloronium ions. Chemical Science . ISSN 2041-6539

Savage, Mathew, Cheng, Yongqiang, Easun, Timothy L., Eyley, Jennifer E., Argent, Stephen P., Warren, Mark R., Lewis, William, Murray, Claire, Tang, Chiu C., Frogley, Mark D., Cinque, Gianfelice, Sun, Junliang, Rudić, Svemir, Murden, Richard T., Benham, Michael J., Fitch, Andrew N., Blake, Alexander J., Ramirez-Cuesta, Anibal J., Yang, Sihai and Schröder, Martin (2016) Selective adsorption of sulfur dioxide in a robust metal-organic framework material. Advanced Materials, 28 (39). pp. 8705-8711. ISSN 1521-4095

Sharpe, Helen R., Geer, Ana M., Williams, Huw E.L., Blundell, Toby J., Lewis, William, Blake, Alexander J. and Kays, Deborah L. (2016) Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(II) and Fe(II) m-terphenyl complexes. Chemical Communications . ISSN 1364-548X (In Press)

Sicilia, Giovanna, Davis, Adrienne L., Spain, Sebastian G., Magnusson, Johannes P., Boase, Nathan R. B., Thurecht, Kristofer J. and Alexander, Cameron (2016) Synthesis of19F nucleic acid–polymer conjugates as real-time MRI probes of biorecognition. Polymer Chemistry, 7 (12). pp. 2180-2191. ISSN 1759-9962

Sicilia, Giovanna, Davis, Adrienne L., Spain, Sebastian G., Magnusson, Johannes P., Boase, Nathan R.B., Thurecht, Kristofer J. and Alexander, Cameron (2016) Synthesis of 19F nucleic acid–polymer conjugates as real-time MRI probes of biorecognition. Polymer Chemistry, 7 (12). pp. 2180-2191. ISSN 1759-9962

Sjögersten, Sofie, Caul, S., Daniell, T.J., Jurd, A.P.S., O'Sullivan, O.S., Stapleton, C.S. and Titman, Jeremy J. (2016) Organic matter chemistry controls greenhouse gas emissions from permafrost peatlands. Soil Biology and Biochemistry, 98 . pp. 42-53. ISSN 0038-0717

Smith, Joshua J., Best, Daniel and Lam, Hon Wai (2016) Copper-catalyzed borylative coupling of vinylazaarenes and N-Boc imines. Chemical Communications . ISSN 1364-548X

Solé-Daura, Albert, Goovaerts, Vincent, Stroobants, Karen, Absillis, Gregory, Jiménez-Lozano, Pablo, Poblet, Josep M., Hirst, J.D., Parac-Vogt, Tatjana and Carbó, Jorge J. (2016) Probing polyoxometalate-protein interactions using molecular dynamics simulations. Chemistry - a European Journal, 22 (43). pp. 15280-15289. ISSN 1521-3765

Soukarieh, Fadi, Nowicki, Matthew W., Bastide, Amandine, Poyry, Tuija, Jones, Carolyn, Dudek, Kate, Patwardhan, Geetanjali, Meullenet, François, Oldham, Neil J., Walkinshaw, Malcolm D., Willis, Anne E. and Fischer, Peter M. (2016) Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: synthesis, structural and functional characterisation. European Journal of Medicinal Chemistry, 124 . pp. 200-217. ISSN 0223-5234

Souza, Virginia S., Scholten, Jackson D., Weibel, Daniel E., Eberhardt, Dario, Baptista, Daniel L., Teixeira, Sergio R. and Dupont, Jairton (2016) Hybrid tantalum oxide nanoparticles from the hydrolysis of imidazolium tantalate ionic liquids: efficient catalysts for hydrogen generation from ethanol/water solutions. Journal of Materials Chemistry A, 4 . pp. 7469-7475. ISSN 2050-7496

Summerfield, Alex, Davies, Andrew, Cheng, Tin S., Korolkov, Vladimir V., Cho, YongJin, Mellor, Christopher J., Foxon, C. Thomas, Khlobystov, Andrei N., Watanabe, Kenji, Taniguchi, Takashi, Eaves, Laurence, Novikov, Sergei V. and Beton, Peter H. (2016) Strain-engineered graphene grown on hexagonal boron nitride by molecular beam epitaxy. Scientific Reports, 6 . 22440/1-22440/9. ISSN 2045-2322

Turyanska, Lyudmila, Moro, Fabrizio, Patanè, Amalia, Barr, James, Köckenberger, Walter, Taylor, Alexander, Faas, Henryk, Fowler, Maxine J., Wigmore, Peter, Trueman, Rebecca C., Williams, Huw Edward Llewelyn and Thomas, Neil R. (2016) Developing Mn-doped lead sulfide quantum dots for MRI labels. Journal of Materials Chemistry B, 42 . pp. 6797-6802. ISSN 2050-750X

Viehland, Larry A., Johnsen, Rainer, Gray, Benjamin R. and Wright, Timothy G. (2016) Transport coefficients of He+ ions in helium. Journal of Chemical Physics, 144 . 074306. ISSN 1089-7690

Vuckovic, Stefan, Irons, Tom J.P., Savin, Andreas, Teale, Andrew M. and Gori-Giorgi, Paola (2016) Exchange-correlation functionals via local interpolation along the adiabatic connection. Journal of Chemical Theory and Computation . ISSN 1549-9626

Wang, Jing, Xu, Fang, Wheatley, R.J., Neate, Nigel C. and Hou, Xianghui (2016) Yb3+ doping effects on thermal conductivity and thermal expansion of Yttrium aluminium garnet. Ceramics International, 42 (12). pp. 14228-14235. ISSN 1873-3956 (In Press)

Wang, Qiang, Martin, Lee, Blake, Alexander J., Day, Peter, Akutsu, Hiroki and Wallis, John D. (2016) Coordination chemistry of 2,2’-bipyridyl- and 2,2’:6’,2”-terpyridyl-substituted BEDT-TTFs: formation of a supramolecular capsule motif by the iron(II) tris complex of 2,2’-bipyridine-4-thiomethyl-BEDT-TTF. Inorganic Chemistry, 55 (17). pp. 8543-8551. ISSN 1520-510X

Wei, Rong Jia, Nakahara, Ryohei, Cameron, Jamie M., Newton, Graham, Shiga, Takuya, Sagayama, Hajime, Kumai, Reiji, Murakami, Youichi and Oshio, Hiroki (2016) Solvent-induced on/off switching of intramolecular electron transfer in a cyanide-bridged trigonal bipyramidal complex. Dalton Transactions, 45 . pp. 17104-17107. ISSN 1477-9234

Weilhard, Andreas, Abarca, Gabriel A., Viscardi, Janine, Prechtl, Martin H.G., Scholten, Jackson D., Bernandi, Fabiano, Baptista, Daniel and Dupont, Jairton (2016) Challenging thermodynamics: hydrogenation of benzene to 1,3- cyclohexadiene by Ru@Pt nanoparticles. Chemcatchem, 9 (1). pp. 204-211. ISSN 1867-3899

Yan, Yong, Juricek, Michal, Coudert, Francois-Xavier, Vermeulan, Nicolaas A., Grunder, Sergio, Dailly, Anne, Lewis, William, Blake, Alexander J., Stoddart, J. Fraser and Schröder, Martin (2016) Non-interpenetrated metal-organic frameworks based on copper(II) paddlewheel and oligoparaxylene-isophthalate linkers: synthesis, structure and gas adsorption. Journal of the American Chemical Society, 138 (10). pp. 3371-3381. ISSN 1520-5126

Zoberbier, Thilo, Chamberlain, Thomas W., Biskupek, Johannes, Suyetin, Mikhail, Majouga, Alexander G., Besley, Elena, Kaiser, Ute and Khlobystov, Andrei N. (2016) Investigation of the Interactions and Bonding between Carbon and Group VIII Metals at the Atomic Scale. Small, 12 (12). pp. 1649-1657. ISSN 1613-6810

van Eijk, Erika, Paschalis, Vasileios, Green, Matthew, Friggen, Annemieke H., Larson, Marilynn A., Spriggs, Keith, Briggs, Geoffrey S., Soultanas, Panos and Smits, Wiep Klaas (2016) Primase is required for helicase activity and helicase alters the specificity of primase in the enteropathogen Clostridium difficile. Open Biology, 6 (12). 160272/1-160272/16. ISSN 2046-2441

van Eijk, Erika, Paschalis, Vasileios, Green, Matthew, Friggen, Annemieke H., Larson, Marilynn A., Spriggs, Keith, Briggs, Geoffrey S., Soultanas, Panos and Smits, Wiep Klaas (2016) Primase is required for helicase activity and helicase alters the specificity of primase in the enteropathogen Clostridium difficile. Open Biology, 6 (12). ISSN 2046-2441

2015

Allan, David R., Blake, Alexander J., Schröder, Martin, Tang, Chiu C. and Yang, Sihai (2015) Structural aspects of MOF-based energy materials research at Diamond. Philosophical Transactions of the Royal Society A, 373 . p. 20130149. ISSN 1364-503X

Andrejeva, Anna, Breckenridge, William and Wright, Timothy G. (2015) A surprisingly simple electrostatic model explains bent vs. linear structures in M+-RG2 species (M = group 1 metal, Li–Fr; RG = rare gas, He–Rn). Journal of Physical Chemistry A, 119 (44). pp. 10959-10970. ISSN 1520-5215

Andrejeva, Anna, Gardner, Adrian M., Graneek, Jack B., Breckenridge, William and Wright, Timothy G. (2015) Theoretical study of M+ RG2: (M+= Ca, Sr, Ba and Ra; RG= He–Rn). Journal of Physical Chemistry A, 119 (23). pp. 5995-6005. ISSN 1089-5639

Andrejeva, Anna, Tuttle, William D., Harris, Joe P. and Wright, Timothy G. (2015) Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of bromobenzene and its perdeuterated isotopologue: assignment of the vibrations of the S0, S1 and D0+ states of bromobenzene and the S0 and D0+ states of iodobenzene. Journal of Chemical Physics, 143 . 244320/1-244320/19. ISSN 0021-9606 (In Press)

Andrejeva, Anna, Tuttle, William D., Harris, Joe P. and Wright, Timothy G. (2015) Assignment of the vibrations of the S0, S1, and D+0 states of perhydrogenated and perdeuterated isotopologues of chlorobenzene. Journal of Chemical Physics, 143 (10). 104312/1-104312/22. ISSN 1089-7960

Andrews, Keith Gordon, Summers, Declan, Donnelly, Liam and Denton, Ross Matthew (2015) Catalytic reductive N-alkylation of amines using carboxylic acids. Chemical Communications . ISSN 1364-548X (In Press)

Bansal, Kuldeep K., Kakde, Deepak, Purdie, Laura, Irvine, Derek J., Howdle, Steven M., Mantovani, Giuseppe and Alexander, Cameron (2015) New biomaterials from renewable resources – amphiphilic block copolymers from δ-decalactone. Polymer Chemistry, 6 (40). pp. 7196-7210. ISSN 1759-9962

Blunt, Christopher, Torcuk, Canan, Liu, Yang, Lewis, William, Siegel, David, Ross, David and Moody, Christopher J. (2015) Natural quinones and their analogues: synthesis, intracellular redox cycling and identification of indoleamine-2,3-dioxygenase (IDO) as a potential target for anticancer activity. Angewandte Chemie International Edition, 54 (30). pp. 8740-8745. ISSN 1521-3773

Bridges, Stephanie (2015) Conceptualising cosmopolitan values in internationalised higher education: a capabilities approach. In: Converging Concepts in Global Higher Education Research: Local, National and International Perspectives, 9-11 December 2015, Newport, South Wales.

Briggs, Edward A. and Besley, Nicholas A. (2015) A density functional theory based analysis of photoinduced electron transfer in a triazacryptand based K+ sensor. Journal of Physical Chemistry A, 119 (12). pp. 2902-2907. ISSN 1089-5639

Burroughs, Laurence, Eccleshare, Lee, Ritchie, John, Kulkarni, Omkar, Lygo, Barry, Woodward, Simon and Lewis, William (2015) One-pot Cannizzaro cascade synthesis of ortho-Fused Cycloocta-2,5-dien-1-ones from 2-Bromo(hetero)aryl aldehydes. Angewandte Chemie International Edition, 54 (36). pp. 10648-10651. ISSN 1521-3773

Burroughs, Laurence, Ritchie, John, Ngwenya, Mkhethwa, Khan, Dilfaraz, Lewis, William and Woodward, Simon (2015) Anionic sigmatropic-electrocyclic-Chugaev cascades: accessing 12-aryl-5-(methylthiocarbonylthio)tetracenes and a related anthra[2,3-b]thiophene. Beilstein Journal of Organic Chemistry, 11 . pp. 273-279. ISSN 1860-5397

Casian, A.I. and Sanduleac, I.I. (2015) Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3D modeling. Materials Today: Proceedings, 2 (2). pp. 504-509. ISSN 2214-7853

Chamberlain, T.W., Lebedeva, M.A., Abuajwa, W., Suyetin, M., Lewis, W., Bichoutskaia, E., Schröder, Martin and Khlobystov, Andrei N. (2015) Switching intermolecular interactions by confinement in carbon nanotubes. Chemical Communications, 51 . pp. 648-651. ISSN 1364-548X

Chen, Li-Chia, Cheng, Li-Jen, Zhang, Yan, He, Zin and Knaggs, Roger (2015) Acupuncture or low frequency infrared treatment for low back pain in Chinese patients: a discrete choice experiment. PLoS ONE, 10 (5). e0126912/1- e0126912/14. ISSN 1932-6203

Cheng, Chi Y., Ryley, Matthew S., Peach, Michael J.G., Tozer, David J., Helgaker, Trygve and Teale, Andrew M. (2015) Molecular properties in the Tamm–Dancoff approximation: indirect nuclear spin–spin coupling constants. Molecular Physics, 113 (13-14). pp. 1937-1951. ISSN 1362-3028

Choi, Bonnie, Saxena, Aakarsh, Smith, Joshua J., Churchill, Gwydion H. and Lam, Hon Wai (2015) Enantioselective copper-catalyzed reductive coupling of vinylazaarenes with N-Boc aldimines. Synlett, 26 (3). pp. 350-351. ISSN 1437-2096

Cini, Melchior, Bradshaw, Tracey D., Woodward, Simon and Lewis, William (2015) Asymmetric pentafulvene carbometalation-access to enantiopure titanocene dichlorides of biological relevance. Angewandte Chemie International Edition, 54 (47). pp. 14179-14182. ISSN 1521-3773

Cornelio, B., Saunders, A.R., Solomonsz, W.A., Laronze-Cochard, M., Fontana, A., Sapi, J., Khlobystov, Andrei N. and Rance, Graham A. (2015) Palladium nanoparticles in catalytic carbon nanoreactors: the effect of confinement on Suzuki-Miyaura reactions. Journal of Materials Chemistry, 3 . pp. 3918-3927. ISSN 1364-5501

Coromina, Helena Matabosch, Walsh, Darren A. and Mokaya, Robert (2015) Biomass-derived activated carbon with simultaneously enhanced CO2 uptake for both pre and post combustion capture applications. Journal of Materials Chemistry A, 4 (1). pp. 280-289. ISSN 2050-7496

Curia, S., Barclay, A.F., Torron, S., Johansson, M. and Howdle, S.M. (2015) Green process for green materials: viable low-temperature lipase-catalysed synthesis of renewable telechelics in supercritical CO2. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences, 373 (2057). pp. 1-16. ISSN 1471-2962

Curia, Silvio, De Focatiis, Davide S.A. and Howdle, Steven M. (2015) High-pressure rheological analysis of CO2-induced melting point depression and viscosity reduction of poly(ε-caprolactone). Polymer, 69 . pp. 17-24. ISSN 0032-3861

Ejigu, Andinet, Edwards, Matthew and Walsh, Darren A. (2015) Synergistic catalyst-support interactions in a graphene-Mn3O4 electrocatalyst for vanadium redox flow batteries. ACS Catalysis, 5 (12). pp. 7122-7133. ISSN 2155-5435

Ejigu, Andinet, Greatorex-Davies, Peter and Walsh, Darren A. (2015) Room temperature ionic liquid electrolytes for redox flow batteries. Electrochemistry Communications, 54 . pp. 55-59. ISSN 1388-2481

Ershova, Olga V., Klos, Jacek, Besley, Nicholas A. and Wright, Timothy G. (2015) Interaction of the NO 3pπ (C 2Π) Rydberg state with RG (RG = Ne, Kr, and Xe): potential energy surfaces and spectroscopy. Journal of Chemical Physics, 142 (3). 034311/1-034311/15. ISSN 0021-9606

Furness, James W., Verbeke, Joachim, Tellgren, Erik I., Stopkowicz, Stella, Ekström, Ulf, Helgaker, Trygve and Teale, Andrew M. (2015) Current density functional theory using meta-generalized gradient exchange-correlation functionals. Journal of Chemical Theory and Computation, 11 (9). pp. 4169-4181. ISSN 1549-9626

Gardner, Benedict M., Balázs, Gábor, Scheer, Manfred, Wooles, Ashley J., Tuna, Floriana, McInnes, Eric J.L., McMaster, Jonathan, Lewis, William, Blake, Alexander J. and Liddle, Stephen T. (2015) Isolation of elusive HAsAsH in a crystalline diuranium(IV) complex. Angewandte Chemie International Edition, 54 (50). pp. 15250-15254. ISSN 1433-7851

Gardner, Benedict M., Tuna, Floriana, McInnes, Eric J.L., McMaster, Jonathan, Lewis, William, Blake, Alexander J. and Liddle, Stephen T. (2015) An inverted-sandwich diuranium μ-η5:η5-cyclo-P5 complex supported by U-P5 δ-bonding. Angewandte Chemie International Edition, 54 (24). pp. 7068-7072. ISSN 1521-3773

Gregson, Matthew, Chilton, Nicholas F., Ariciu, Ana-Maria, Tuna, Floriana, Crowe, Iain F., Lewis, William, Blake, Alexander J., Collison, David, McInnes, Eric J.L., Winpenny, Richard E.P. and Liddle, Stephen T. (2015) A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour. Chemical Science, 7 (1). pp. 155-165. ISSN 2041-6539

Hanson-Heine, Magnus W.D., Wrigglesworth, Alisdair, Uroos, Maliha, Calladine, James A., Murphy, Thomas S., Hamilton, Michelle, Clark, Ian P., Towrie, Michael, Dowden, James, Besley, Nicholas A. and George, Michael W. (2015) Calculating singlet excited states: comparison with fast time-resolved infrared spectroscopy of coumarins. Journal of Chemical Physics, 142 (15). 154119/1-154119/7. ISSN 0021-9606

Humphreys, Christopher M., McLean, Samantha, Schatschneider, Sarah, Millat, Thomas, Henstra, Anne M., Annan, Florence J., Breitkopf, Florence, Pander, Bart, Piatek, Pawel, Rowe, Peter, Wichlacz, Alexander T., Woods, Craig, Norman, Rupert, Blom, Jochen, Goesman, Alexander, Hodgman, Charlie, Barrett, David, Thomas, Neil R., Winzer, Klaus and Minton, Nigel P. (2015) Whole genome sequence and manual annotation of Clostridium autoethanogenum, an industrially relevant bacterium. BMC Genomics, 16 . 1085/1-1085/10. ISSN 1471-2164

Jarvis, Samuel Paul, Sweetman, Adam, Lekkas, Ioannis, Champness, Neil R., Kantorovich, Lev and Moriarty, Philip (2015) Simulated structure and imaging of NTCDI on Si(1 1 1)-7 × 7 : a combined STM, NC-AFM and DFT study. Journal of Physics: Condensed Matter, 27 (5). 054004/1-054004/8. ISSN 0953-8984

Jarvis, Samuel Paul, Taylor, S., Baran, J.D., Thompson, D., Saywell, Alexander, Mangham, Barry, Champness, Neil R., Larsson, J.A. and Moriarty, Philip (2015) Physisorption controls the conformation and density of states of an adsorbed porphyrin. Journal of Physical Chemistry C, 119 (50). pp. 27982-27994. ISSN 1932-7455

Jarvis, Samuel Paul, Taylor, Simon, Baran, J.D., Champness, Neil R., Larsson, J.A. and Moriarty, Philip (2015) Measuring the mechanical properties of molecular conformers. Nature Communications, 6 (8338). pp. 1-7. ISSN 2041-1723

Jeffs, Jay, Besley, Nicholas A., Stace, Anthony J., Sarma, Gautam, Cunningham, Ethan M., Boatwright, Adrian, Wang, Shengfu and Ellis, Andrew M. (2015) Metastable aluminium atoms floating on the surface of helium nanodroplets. Physical Review Letters, 114 (23). 233401/1-233401/5. ISSN 1079-7114

Jenner, Matthew, Afonso, José Pedro, Bailey, Hannah R., Frank, Sarah, Kampa, Annette, Piel, Jörn and Oldfield, Neil J. (2015) Acyl-chain elongation drives ketosynthase substrate selectivity in trans-acyltransferase polyketide synthases. Angewandte Chemie International Edition, 54 (6). pp. 1817-1821. ISSN 1433-7851

Jennings, J., Bassett, S., Hermida-Merino, D., Portale, G., Bras, W., Knight, L., Titman, Jeremy J., Higuchi, T., Jinnari, H. and Howdle, S.M. (2015) How does dense phase CO2 influence the phase behaviour of block copolymers synthesised by dispersion polymerisation? Polymer Chemistry . ISSN 1759-9962

Khan, Imtiaz, Chidipudi, Suresh Reddy and Lam, Hon Wai (2015) Synthesis of spiroindanes by palladium-catalyzed oxidative annulations of non- or weakly activated 1,3-dienes involving C–H functionalization. Chemical Communications, 51 . pp. 2613-2616. ISSN 1364-548X

Korolkov, Vladimir V., Svatek, Simon A., Summerfield, Alex, Kerfoot, James, Yang, Lixu, Taniguchi, Takashi, Watanabe, Kenji, Champness, Neil R., Besley, Nicholas A. and Beton, Peter H. (2015) van der Waals-induced chromatic shifts in hydrogen-bonded two-dimensional porphyrin arrays on boron nitride. ACS Nano, 9 (10). pp. 10347-10355. ISSN 1936-086X

Kuruppu, Anchala I., Zhang, Lei, Collins, Hilary M., Turyanska, Lyudmila, Thomas, Neil R. and Bradshaw, Tracey D. (2015) An apoferritin-based drug delivery system for the tyrosine kinase inhibitor gefitinib. Advanced Healthcare Materials, 4 (18). pp. 2816-2821. ISSN 2192-2640

Kyyaly, Mohammad Aref, Powell, Chris and Ramadan, Elshahat (2015) Preparation of iron-enriched baker's yeast and its efficiency in recovery of rats from dietary iron deficiency. Nutrition, 31 (9). pp. 1155-1164. ISSN 1873-1244

Llewellyn, Ben A., Davies, Stephen E., Pfeiffer, Constance R., Cooper, Mick, Lewis, William and Champness, Neil R. (2015) Thionated perylene diimides with intense absorbance in the near-IR. Chemical Communications . ISSN 1364-548X

Martini, Francesca, Miah, Habeeba K., Iuga, Dinu, Geppi, Marco and Titman, Jeremy J. (2015) Measuring 19F shift anisotropies and 1H–19F dipolar interactions with ultrafast MAS NMR. Journal of Magnetic Resonance, 259 . pp. 102-107. ISSN 1090-7807

Martínez, Jose I., Smith, Joshua S., Hepburn, Hamish B. and Lam, Hon Wai (2015) Chain walking of allylrhodium species towards esters during rhodium-catalyzed nucleophilic allylations of imines. Angewandte Chemie International Edition . ISSN 1433-7851

Moxey, Graeme J., Blake, Alexander J., Lewis, William and Kays, Deborah L. (2015) Alkaline earth complexes of a sterically demanding guanidinate ligand. European Journal of Inorganic Chemistry, 2015 (36). pp. 5892-5902. ISSN 1434-1948

Nicolle, Simon M., Lewis, William, Hayes, Christopher J. and Moody, Christopher J. (2015) Stereoselective synthesis of highly substituted tetrahydrofurans by diverted carbene O–H insertion reaction. Angewandte Chemie International Edition, 54 (29). pp. 8485-8489. ISSN 1521-3773

Nortcliffe, Andrew and Moody, Christopher J. (2015) Seven-membered ring scaffolds for drug discovery: access to functionalised azepanes and oxepanes through diazocarbonyl chemistry. Bioorganic and Medicinal Chemistry, 23 (11). pp. 2730-2735. ISSN 1464-3391

Oliveras-Gonzalez, Cristina, Di Meo, Florent, Gonzalez-Campo, Arentzazu, Beljonne, David, Norman, Patrick, Maite, Simon-Sorbed, Linares, Mathieu and Amabilino, David A. (2015) Bottom-up hierarchical self-assembly of chiral porphyrins through coordination and hydrogen bonds. Journal of the American Chemical Society, 137 (50). pp. 15795-15808. ISSN 1520-5126

Ortu, Fabrizio, Moxey, Graeme J., Blake, Alexander J., Lewis, William and Kays, Deborah L. (2015) Tuning coordination in s-block carbazol-9-yl complexes. Chemistry - a European Journal, 21 (18). pp. 6949-6956. ISSN 0947-6539

Peach, Michael J.G., Teale, Andrew M., Helgaker, Trygve and Tozer, David J. (2015) Fractional electron loss in approximate DFT and Hartree–Fock theory. Journal of Chemical Theory and Computation, 11 (11). pp. 5262-5268. ISSN 1549-9626

Perotto, Carlo U., Marshall, George, Jones, Graham J., Lewis, William, McMaster, Jonathan and Schröder, Martin (2015) A Ni(I)Fe(II) analogue of the Ni-L state of the active site of the [NiFe] hydrogenases. Chemical Communications, 51 . pp. 16988-16991. ISSN 1364-548X

Poliakoff, Martyn, Leitner, Walter and Streng, Emelia S. (2015) The twelve principles of CO2 Chemistry. Faraday Discussions . ISSN 1364-5498

Pudzs, K., Vembris, A., Busenbergs, J., Rutkis, M. and Woodward, Simon (2015) Tetrathiotetracene thin film morphology and electrical properties. Thin Solid Thins, 598 . pp. 214-218. ISSN 0040-6090

Rawling, M.J., Storr, T.E., Bawazir, W.A., Cully, S.J., Lewis, W., Makki, M.S.I.T., Strutt, I.R., Jones, G., Hamza, D. and Stockman, R.A. (2015) Facile access to a heterocyclic, sp3-rich chemical scaffold via a tandem condensation/intramolecular nitrone–alkene [3+2] cycloaddition strategy. Chemical Communications, 51 (64). pp. 12867-12870. ISSN 1364-548X

Rebolini, Elisa, Toulouse, Julien, Teale, Andrew M., Helgaker, Trygve and Savin, Andreas (2015) Calculating excitation energies by extrapolation along adiabatic connections. Physical Review A, 91 (3). 032519. ISSN 1050-2947

Rebolini, Elisa, Toulouse, Julien, Teale, Andrew M., Helgaker, Trygve and Savin, Andreas (2015) Excited states from range-separated density-functional perturbation theory. Molecular Physics, 113 (13-14). pp. 1740-1749. ISSN 0026-8976

Reimann, Sarah, Ekström, Ulf, Stopkowicz, Stella, Teale, Andrew M., Borgoo, Alex and Helgaker, Trygve (2015) The importance of current contributions to shielding constants in density-functional theory. Physical Chemistry Chemical Physics, 17 (28). pp. 18834-18842. ISSN 1463-9084

Sarce Thomann, Fernando, Hall, Matthew R., Mokaya, Robert and Stevens, Lee A. (2015) Hygrothermal simulation-informed design of mesoporous desiccants for optimised energy efficiency of mixed mode air conditioning systems. Journal of Materials Chemistry A, 3 . pp. 17290-17303. ISSN 2050-7496

Scott, Daniel, Layfield, Robert and Oldham, Neil J. (2015) Ion mobility-mass spectrometry reveals conformational flexibility in the deubiquitinating enzyme USP5. Proteomics, 15 (16). pp. 2835-2841. ISSN 1615-9861

Storr, Thomas E., Cully, Sarah J., Rawling, Michael J., Lewis, William, Hamza, Daniel, Jones, Geraint and Stockman, Robert A. (2015) Combining two-directional synthesis and tandem reactions. Part 21: Exploitation of a dimeric macrocycle for chain terminus differentiation and synthesis of an sp3-rich library. Bioorganic and Medicinal Chemistry, 23 (11). pp. 2621-2628. ISSN 1464-3391

Summerfield, Alex, Cebula, Izabela, Schröder, Martin and Beton, Peter H. (2015) Nucleation and early stages of layer-by-layer growth of metal organic frameworks on surfaces. Journal of Physical Chemistry C, 119 (41). pp. 23544-23551. ISSN 1932-7455

Svatek, Simon A., Scott, Oliver R., Rivett, Jasmine P.H., Wright, Katherine, Baldoni, Matteo, Bichoutskaia, Elena, Taniguchi, Takashi, Watanabe, Kenji, Marsden, Alexander J., Wilson, Neil R. and Beton, Peter H. (2015) Adsorbate-induced curvature and stiffening of graphene. Nano Letters, 15 (1). pp. 159-164. ISSN 1530-6992

Teale, Andrew M., Helgaker, Trygve and Savin, Andreas (2015) Alternative representations of the correlation energy in density-functional theory: a kinetic-energy based adiabatic connection. Journal of the Chinese Chemical Society . ISSN 2192-6549

Turyanska, Lyudmila, Makarovsky, Oleg, Svatek, Simon A., Beton, Peter H., Mellor, Christopher J., Patanè, Amalia, Eaves, Laurence, Thomas, Neil R., Fay, Michael W., Marsden, Alexander J. and Wilson, Neil R. (2015) Ligand-induced control of photoconductive gain and doping in a hybrid graphene-quantum dot transistor. Advanced Electronic Materials, 1 . p. 1500062. ISSN 2199-160X

Tuttle, William D., Thorington, Rebecca L., Viehland, Larry A. and Wright, Timothy G. (2015) Interaction potentials, spectroscopy and transport properties of C+(2PJ) and C+(4PJ) with helium. Molecular Physics, 113 (23). pp. 3767-3782. ISSN 0026-8976

Wada, Hiroki, Williams, Huw E. L. and Moody, Christopher J. (2015) Total synthesis of the post-translationally modified polyazole peptide antibiotic plantazolicin A. Angewandte Chemie International Edition, 54 (50). pp. 15147-15151. ISSN 1433-7851

Wang, Jing, Xu, Fang, Wheatley, Richard J., Choy, Kwang-Leong, Neate, Nigel C. and Hou, Xianghui (2015) Investigation of La3+ Doped Yb2Sn2O7 as new thermal barrier materials. Materials & Design, 85 . pp. 423-430. ISSN 0261-3069

Windle, Christopher D., George, Michael W., Perutz, Robin N., Summers, Peter A., Sun, Xue Zhong and Whitwood, Adrian C. (2015) Comparison of rhenium–porphyrin dyads for CO₂ photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy. Chem. Science, 6 (12). pp. 6847-6864. ISSN 2041-6539

Yang, Sihai, Ramirez-Cuesta, Anibal J., Newby, Ruth, Garcia-Sakai, Victoria, Manual, Pascal, Callear, Samantha K., Campbell, Stuart I., Tang, Chui C. and Schröder, Martin (2015) Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework. Nature Chemistry, 7 . pp. 121-129. ISSN 1755-4330

Zamberlan, Francesco, Lesbats, Clémentine, Rogers, Nicola J., Krupa, James L., Pavlovskaya, Galina E., Thomas, Neil R., Faas, Henryk and Meersmann, Thomas (2015) Molecular sensing with hyperpolarized 129Xe using switchable chemical exchange relaxation transfer. ChemPhysChem, 16 (11). pp. 2294-2298. ISSN 1439-7641

Zannotti, Marco, Wood, Christopher J., Summers, Gareth H., Stevens, Lee A., Hall, Matthew R., Snape, Colin E., Giovannetti, Rita and Gibson, Elizabeth A. (2015) Ni Mg mixed metal oxides for p-type dye-sensitized solar cells. ACS Applied Materials and Interfaces, 7 (44). pp. 24556-24565. ISSN 1944-8252

2014

Adams, James, Anderson, Edward C., Blackham, Emma E., Chiu, Yin Wa Ryan, Clarke, Thomas, Eccles, Natasha, Gill, Luke A., Haye, Joshua J., Haywood, Harvey T., Hoenig, Christian R., Russell, Hannah L., Smedley, Christopher, Tipping, William J., Tongue, Tom, Wood, Charlotte C., Yeung, Jason, Rowedder, James E., Fray, Michael J., Mcinally, Thomas and Macdonald, Simon J.F. (2014) Structure activity relationships of αv integrin antagonists for pulmonary fibrosis by variation in aryl substituents. ACS Medicinal Chemistry Letters, 5 (11). pp. 1207-1212. ISSN 1948-5875

Aguado-Ullate, Sonia, Baker, J.A., González-González, Vanessa, Müller, Christian, Hirst, J.D. and Carbó, Jorge J. (2014) A theoretical study of the activity in Rh-catalyzed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligand. Catalysis Science and Technology, 4 . pp. 979-987. ISSN 2044-4753

Alsmail, Nada H., Suyetin, Mikhail, Yan, Yong, Cabot, Rafel, Krap, Christina P., Lü, Jian, Easun, Timothy L., Biskoutskaia, Elena, Lewis, William, Blake, Alexander J. and Schröder, Martin (2014) Analysis of high and selective uptake of CO2 in an oxamide-containing {Cu2(OOCR)4}-based metal-organic framework. Chemistry - a European Journal, 20 (24). pp. 7317-7324. ISSN 0947-6539

Andrejeva, Anna, Harris, Joe P. and Wright, Timothy G. (2014) Resonance-enhanced multiphoton ionization spectroscopy oflaser-ablated copper atoms. Chemical Physics Letters, 613 . pp. 80-85. ISSN 0009-2614

Baker, J.A. and Hirst, J.D. (2014) Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide. Faraday Discussions, 169 . pp. 343-357. ISSN 1359-6640

Bayliss, Peter A., Ibarra, I.A., Perez, E., Yang, S., Tang, Chiu C., Poliakoff, Martyn and Schröder, Martin (2014) Synthesis of metal-organic frameworks by continuous flow. Green Chemistry, 16 (8). pp. 3796-3802. ISSN 1463-9262

Bichoutskaia, E., Suyetin, M., Bound, M., Yong, Yan and Schröder, Martin (2014) Methane adsorption in metal-organic frameworks containing nanographene linkers: a computational study. Journal of Physical Chemistry C, 118 (29). pp. 15573-15580. ISSN 1932-7455

Blundell, Toby J., Hastings, Fiona R., Gridley, Benjamin M., Moxey, Graeme J., Blake, Alexander J., Lewis, William and Kays, Deborah L. (2014) Ligand influences on homoleptic Group 12 m-terphenyl complexes. Dalton Transactions, 43 . pp. 14257-14264. ISSN 1477-9226

Borgoo, Alex, Teale, Andrew M. and Tozer, David J. (2014) Revisiting the density scaling of the non-interacting kinetic energy. Physical Chemistry Chemical Physics, 16 (28). pp. 14578-14583. ISSN 1463-9076

Briggs, Edward A. and Besley, Nicholas A. (2014) Modelling excited states of weakly bound complexes with density functional theory. Physical Chemistry Chemical Physics, 16 (28). pp. 14455-14462. ISSN 1463-9076

Casian, A.I. and Sanduleac, I.I. (2014) Thermoelectric properties of tetrathiotetracene iodide crystals: modeling and experiment. Journal of Electronic Materials . ISSN 0361-5235

Cleaves, Peter A., King, David M., Kefalidis, Christos E., Maron, Laurent, Tuna, Floriana, McInnes, Eric J.L., McMaster, Jonathan, Lewis, William, Blake, Alexander J. and Liddle, Stephen T. (2014) Two-electron reductive carbonylation of terminal uranium(V) and uranium(VI) nitrides to cyanate by carbon monoxide. Angewandte Chemie International Edition, 53 (39). pp. 10412-10415. ISSN 1521-3773

Do, Hainam and Besley, Nicholas A. (2014) Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials. Physical Chemistry Chemical Physics, 17 (5). pp. 3898-3908. ISSN 1463-9076

Dutton, Bridie L., Kitson, Russell R.A., Parry-Morris, Sarah, Roe, S. Mark, Prodromou, Chrisostomos and Moody, Christopher J. (2014) Synthesis of macrolactam analogues of radicicol and their binding to heat shock protein Hsp90. Organic and Biomolecular Chemistry, 12 (8). pp. 1328-1340. ISSN 1477-0520

Ejigu, Andinet and Walsh, Darren A. (2014) The role of adsorbed ions during electrocatalysis in ionic liquids. Journal of Physical Chemistry C, 118 . pp. 7414-7422. ISSN 1932-7455

Fray, Michael J. (2014) Investigation of epimer formation in amide coupling reactions: an experiment for advanced undergraduate students. Journal of Chemical Education, 91 (1). pp. 136-140. ISSN 0021-9584

Gardner, Adrian M., Green, Alistair M., Tamé-Reyes, Victor M., Reid, Katharine L., Davies, Julia A., Parkes, Victoria H.K. and Wright, Timothy G. (2014) The 700-1500 cm-1 region of the S1 (A1-B-2) state of toluene studied with resonance-enhanced multiphoton ionization (REMPI), zero-kinetic-energy (ZEKE) spectroscopy,and time-resolved slow-electron velocity-map imaging (tr-SEVI) spectroscopy. Journal of Chemical Physics, 140 (11). 114308/1-114308/22. ISSN 0021-9606

Gardner, Benedict M., Balázs, Gábor, Scheer, Manfred, Tuna, Floriana, McInnes, Eric J.L., McMaster, Jonathan, Lewis, William, Blake, Alexander J. and Liddle, Stephen T. (2014) Triamidoamine-uranium(IV)-stabilized terminal parent phosphide and phosphinidene complexes. Angewandte Chemie International Edition, 53 (17). pp. 4484-4488. ISSN 1521-3773

Gardner, Benedict M., Cleaves, Peter A., Kefalidis, Christos E., Fang, Jian, Maron, Laurent, Lewis, William, Blake, Alexander J. and Liddle, Stephen T. (2014) The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls. Chemical Science, 5 (6). pp. 2489-2497. ISSN 2041-6539

Giallombardoa, Daniele, Nevin, Adam C., Lewis, William, Nawrat, Christopher C., Kitson, Russell R.A. and Moody, Christopher J. (2014) Synthesis of toxyloxanthone B. Tetrahedron, 70 (6). pp. 1283-1288. ISSN 0040-4020

Green, Matthew, Gilhooly, Neville S., Abedeen, Shahriar, Scott, David J., Dillingham, Mark S. and Soultanas, Panos (2014) Engineering a reagentless biosensor for single-stranded DNA to measure real-time helicase activity in Bacillus. Biosensors and Bioelectronics, 61 . pp. 579-586. ISSN 1873-4235

Harris, Joe, Manship, Daniel, Breckenridge, William and Wright, Timothy G. (2014) Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions. Journal of Chemical Physics, 140 . 084304/1-084304/12. ISSN 0021-9606

Harris, Joe P., Andrejeva, Anna, Tuttle, William D., Pugliesi, Igor, Schriever, Christian and Wright, Timothy G. (2014) Vibrations of the S1 state of fluorobenzene-h5 and fluorobenzene-d5 via resonance-enhanced multiphoton ionization (REMPI) spectroscopy. Journal of Chemical Physics, 141 (24). 244315/1-244315/15. ISSN 0021-9606

Harris, Joe P., Dodson, Hannah, Breckenridge, W.H. and Wright, Timothy G. (2014) HM+ and HM+‑He (M = Group 2 metal): chemical or physical interactions? Journal of Chemical Physics, 141 (9). 094306/1-094306/9. ISSN 0021-9606

Hirst, J.D., Glowacki, D.R. and Baaden, M. (2014) Molecular simulations and visualization: introduction and overview. Faraday Discussions, 169 . pp. 9-22. ISSN 1359-6640

Kathirgamanathan, Poopathy, Surendrakumar, Sivagnanasundram, Ravichandran, Seenivasagam and Blake, Alexander J. (2014) Isolation and characterisation of 2-Tert-butyl-8-hydroxyquinoline as a crystalline solid and its blue fluorescent Li complex. Advances in Materials Science and Engineering, 2014 . 6/1-6/6. ISSN 1687-8434

King, David M., McMaster, Jonathan, Tuna, Floriana, McInnes, Eric J.L., Lewis, William, Blake, Alexander J. and Liddle, Stephen T. (2014) Synthesis and characterization of an f‑block terminal parent imido [U=NH] complex: a masked uranium(IV) nitride. Journal of the American Chemical Society, 136 (15). pp. 5619-5622. ISSN 1520-5126

Korolkov, Vladimir V., Svatek, Simon A., Allen, Stephanie, Roberts, Clive J., Tendler, Saul J.B., Taniguchi, Takashi, Watanabe, Kenji, Champness, Neil R. and Beton, Peter H. (2014) Bimolecular porous supramolecular networks deposited from solution on layered materials: graphite, boron nitride and molybdenum disulphide. Chemical Communications, 50 (64). pp. 8882-8885. ISSN 1364-548X

Kujawa, Szymon, Best, Daniel, Burns, David J. and Lam, Hon Wai (2014) Synthesis of spirocyclic enones by rhodium-catalyzed dearomatizing oxidative annulation of 2-alkenylphenols with alkynes and enynes. Chemistry - a European Journal, 20 (28). pp. 8599-8602. ISSN 0947-6539

Kulkarni, Prajna R., Jia, Tao, Kuehne, Sarah H., Kerkering, Thomas M., Morris, Elizabeth R., Searle, Mark S., Heeb, Stephan, Rao, Jayasimha and Kulkarni, Rahul V. (2014) A sequence-based approach for prediction of CsrA/RsmA targets in bacteria with experimental validation in Pseudomonas aeruginosa. Nucleic Acids Research, 42 (11). pp. 6811-6825. ISSN 1362-4962

Kvaal, Simen, Ekström, Ulf, Teale, Andrew M. and Helgaker, Trygve (2014) Differentiable but exact formulation of density-functional theory. Journal of Chemical Physics, 140 (18). 18A518 /1-18A518/14. ISSN 1089-7690

Lebedeva, Maria A., Chamberlain, Thomas W., Davies, E. Stephen, Thomas, Bradley E., Schröder, Martin and Khlobystov, Andrei N. (2014) Tuning the interactions between electron spins in fullerene-based triad systems. Beilstein Journal of Organic Chemistry, 10 . pp. 332-343. ISSN 1860-5397

Liew, Soon Yee, Thielemans, Wim and Walsh, Darren A. (2014) Polyaniline- and poly(ethylenedioxythiophene)-cellulose nanocomposite electrodes for supercapacitors. Journal of Solid State Electrochemistry, 18 (12). pp. 3307-3315. ISSN 1432-8488

Lloyd-Jones, Guy C. and Ball, Liam T. (2014) Self-control tames the coupling of reactive radicals. Science, 345 (6195). pp. 381-382. ISSN 1095-9203

Lu, Erli, Cooper, Oliver J., McMaster, Jonathan, Tuna, Floriana, McInnes, Eric J.L., Lewis, William, Blake, Alexander J. and Liddle, Stephen T. (2014) Synthesis, characterization, and reactivity of a uranium(VI) carbene imido oxo complex. Angewandte Chemie International Edition, 53 (26). pp. 6696-6700. ISSN 1521-3773

Lu, Erli, Lewis, William, Blake, Alexander J. and Liddle, Stephen T. (2014) The ketimide ligand is not just an inert spectator: heteroallene insertion reactivity of an actinide-ketimide linkage in a thorium carbene amide ketimide complex. Angewandte Chemie International Edition, 53 (35). pp. 9356-9359. ISSN 1521-3773

Lu, Jian, Perez-Krap, Cristina, Suyetin, Mikhail, Alsmail, Nada H., Yan, Yong, Yang, Sihai, Lewis, William, Bichoutskaia, Elena, Tang, Chiu C., Blake, Alexander J., Cao, Rong and Schröder, Martin (2014) A robust binary supramolecular organic framework (SOF) with high CO2 adsorption and selectivity. Journal of the American Chemical Society, 136 (37). pp. 12828-12831. ISSN 1520-5126

Luo, Yunfei, Roy, Iain D., Madec, Amaël G.E. and Lam, Hon Wai (2014) Enantioselective synthesis of allylboronates and allylic alcohols by copper-catalyzed 1,6-boration. Angewandte Chemie International Edition, 53 (16). pp. 4186-4190. ISSN 1433-7851

Midgley, Jonathan, Davies, Julia A. and Reid, Katharine L. (2014) Complex and sustained quantum beating patterns in a classic IVR system: the 3¹5¹ Level in S₁ p-difluorobenzene. Journal of Physical Chemistry Letters, 5 (14). pp. 2484-2487. ISSN 1948-7185

Nawrat, Christopher C. and Moody, Christopher J. (2014) Quinones as dienophiles in the Diels-Alder reaction: history and applications in total synthesis. Angewandte Chemie International Edition, 53 (8). pp. 2056-2077. ISSN 1433-7851

Penders, Inès G. T. M., Amara, Zacharias, Horvath, Raphael, Rossen, Kai, Poliakoff, Martyn and George, Michael W. (2014) Photocatalytic hydroxylation of arylboronic acids using continuous flow reactors. RSC Advances, 5 (9). pp. 6501-6504. ISSN 2046-2069

Procopiou, George, Aggarwal, Pooja, Newton, Annabella F., Richards, David, Mellor, Ian R., Harbottle, Gareth and Stockman, Robert A. (2014) Two-directional synthesis and biological evaluation of alkaloid 5-epi-cis-275B′. Chemical Communications, 50 (97). pp. 15355-15357. ISSN 1364-548X

Rance, G.A. and Khlobystov, Andrei N. (2014) The effects of interactions between proline and carbon nanostructures on organocatalysis in the Hajos-Parrish-Eder-Sauer-Wiechert reaction. Nanoscale, 6 . pp. 11141-11146. ISSN 2040-3372

Roy, Iain D., Burns, Alan R., Pattison, Graham, Michel, Boris, Parker, Alexandra J. and Lam, Hon Wai (2014) A second-generation ligand for the enantioselective rhodium-catalyzed addition of arylboronic acids to alkenylazaarenes. Chemical Communications, 50 (22). pp. 2865-2868. ISSN 1364-548X

Sanduleac, Ionel, Casian, A.I. and Pflaum, Jens (2014) Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals in a two-dimensional model. Journal of Nanoelectronics and Optoelectronics, 9 (2). pp. 247-252. ISSN 1555-1318

Savage, Mathew, Yang, Sihai, Suyetin, Mikhail, Bichoutskaia, Elena, Lewis, William, Blake, Alexander J., Barnett, Sarah A. and Schröder, Martin (2014) A novel bismuth-based metal-organic framework for high volumetric methane and carbon dioxide adsorption. Chemistry - a European Journal, 20 (26). pp. 8024-8029. ISSN 0947-6539

Schröder, Martin (2014) A new pathway for heterogenization of molecular catalysts by non-covalent interactions with carbon nanoreactors. Chemistry of Materials, 26 (22). pp. 6461-6466. ISSN 0897-4756

Schröder, Martin (2014) Structural chemistry of metal coordination complexes at high pressure. Coordination Chemistry Reviews, 277 . pp. 187-207. ISSN 0010-8545

Schröder, Martin (2014) High pressure studies of palladium and platinum thioether macrocyclic dihalide complexes. Acta Crystallographica Section B, B70 . pp. 469-486. ISSN 2052-5206

Schwehm, Carolin, Lewis, William, Blake, Alexander J., Kellam, Barrie and Stocks, Michael J. (2014) Preparation and structural analysis of (±)-cis-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-trans-ethyl 2-oxooctahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate. Acta Crystallographica Section C: Structural Chemistry, 70 (12). pp. 1161-1168. ISSN 2053-2296

Sinopoli, Alessandro, Magrì, Antonio, Milardi, Danilo, Pappalardo, Matteo, Pucci, Pietro, Flagiello, Angela, Titman, Jeremy J., Nicoletti, Vincenzo G., Caruso, Giuseppe, Pappalardo, Giuseppe and Grasso, Giuseppe (2014) The role of copper(II) in the aggregation of human amylin. Metallomics . ISSN 1756-5901

Slater, Anna G., Hu, Ya, Yang, Lixu, Argent, Stephen P., Lewis, William, Blunt, Matthew O. and Champness, Neil R. (2014) Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly. Chemical Science, 6 . pp. 1562-1569. ISSN 2046-2069

Solomonsz, William A., Rance, Graham A. and Khlobystov, Andrei N. (2014) Evaluating the effects of carbon nanoreactor diameter and internal structure on the pathways of the catalytic hydrosilylation reaction. Small, 10 (9). pp. 1866-1872. ISSN 1613-6829

Souto, José A., Lewis, William and Stockman, Robert A. (2014) Isolation of stable non cyclic 1,2-disulfoxides: revisiting the thermolysis of S-aryl sulfinimines. Chemical Communications, 50 (84). pp. 12630-12632. ISSN 1364-548X

Summers, Peter A., Dawson, Joe, Ghiotto, Fabio, Hanson-Heine, Magnus W.D., Vuong, Khuong Q., Davies, E. Stephen, Sun, Xue-Z., Besley, Nicholas A., McMaster, Jonathan, George, Michael W. and Schröder, Martin (2014) Photochemical dihydrogen production using an analogue of the active site of [NiFe] hydrogenase. Inorganic Chemisry, 53 (9). pp. 4430-4439. ISSN 0020-1669

Sweetman, Adam, Jarvis, Samuel Paul, Rahe, Philipp, Champness, Neil R., Kantorovich, Lev and Moriarty, Philip (2014) Intramolecular bonds resolved on a semiconductor surface. Physical Review B, 90 (16). pp. 5425-1. ISSN 1550-235X

Tang, Xiaoping, Chapman, Charlotte, Whiting, Matthew and Denton, Ross Matthew (2014) Development of a redox-free mitsunobu reaction exploiting phosphine oxides as precursors to dioxyphosphoranes. Chemical Communications, 50 . pp. 7340-7343. ISSN 1364-548X

Teale, Andrew M., De Proft, F., Geerlings, P. and Tozer, David J. (2014) Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach. Physical Chemistry Chemical Physics, 16 (28). pp. 14420-14434. ISSN 1463-9084

Tellgren, Erik I., Teale, Andrew M., Furness, James W., Lange, K.K., Ekström, Ulf and Helgaker, Trygve (2014) Non-perturbative calculation of molecular magnetic properties within current-density functional theory. Journal of Chemical Physics, 140 (3). 034101. ISSN 1089-7690

Turpin, Eleanor R., Mulholland, S., Teale, A.M., Bonev, B.B. and Hirst, J.D. (2014) New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations. RSC Advances, 4 . pp. 48621-48631. ISSN 2046-2069

Turpin, Eleanor R., Mulholland, Sam, Teale, Andrew M., Bonev, Boyan B. and Hirst, Jonathan D. (2014) New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations. RSC Advances, 4 (89). pp. 48621-48631. ISSN 2046-2069

Wadey, J.D. and Besley, Nicholas A. (2014) Quantum chemical calculations of X-ray emission spectroscopy. Journal of Chemical Theory and Computation, 10 (10). pp. 4557-4564. ISSN 1549-9618

Wieland, Maria B., Slater, Anna G., Mangham, Barry, Champness, Neil R. and Beton, Peter H. (2014) Fullerenes as adhesive layers for mechanical peeling of metallic, molecular and polymer thin films. Beilstein Journal of Nanotechnology, 5 . pp. 394-401. ISSN 2190-4286

Wu, Na, Wahl, Benoit, Woodward, Simon and Lewis, William (2014) 1,4-addition of TMSCCl3to nitroalkenes: efficient reaction conditions and mechanistic understanding. Chemistry - a European Journal, 20 (25). pp. 7718-7724. ISSN 1521-3765

Xiao, Bo, Easun, Timothy L., Dhakshinamoorthy, Amarajothi, Cebula, Izabela, Beton, Peter H., Titman, Jeremy J., Garcia, Hermenegildo, Thomas, K. Mark and Schröder, Martin (2014) Porous macromolecular dihydropyridyl frameworks exhibiting catalytic and halochromic activity. Journal of Materials Chemistry A, 2 . pp. 19889-19896. ISSN 2050-7488

Yan, Yong, Yang, Sihai, Blake, Alexander J. and Schröder, Martin (2014) Studies on metal-organic frameworks of Cu(II) with isophthalate linkers for hydrogen storage. Account of Chemical Research, 47 (2). pp. 296-307. ISSN 0001-4842

Yang, Sihai, Ramirez - Cuesta, Anibal J. and Schröder, Martin (2014) Inelastic neutron scattering study of binding of para-hydrogen in an ultra-microporous metal-organic framework. Chemical Physics, 428 . pp. 111-116. ISSN 0301-0104

2013

Afonso, José P., Chintakayala, Kiran, Suwannachart, Chatrudee, Sedelnikova, Svetlana, Giles, Kevin, Hoyes, John B., Soultanas, Panos, Rafferty, John B. and Oldham, Neil J. (2013) Insights into the structure and assembly of the Bacillus subtilis clamp-loader complex and its interaction with the replicative helicase. Nucleic Acids Research, 41 (9). pp. 5115-5126. ISSN 0305-1048

Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pål, Dalskov, Erik K., Ekström, Ulf, Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hättig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenaes, Eirik, Høst, Stinne, Høyvik, Ida-Marie, Iozzi, Maria Francesca, Jansík, Branislav, Jensen, Hans Jørgen Aa., Jonsson, Dan, Jørgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjaergaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnaes, Ola B., Melo, Juan I., Mikkelsen, Kurt V., Myhre, Rolf H., Neiss, Christian, Nielsen, Christian B., Norman, Patrick, Olsen, Jeppe, Olsen, Jógvan Magnus H., Osted, Anders, Packer, Martin J., Pawlowski, Filip, Pedersen, Thomas B., Provasi, Patricio F., Reine, Simen, Rinkevicius, Zilvinas, Ruden, Torgeir A., Ruud, Kenneth, Rybkin, Vladimir V., Sałek, Pawel, Samson, Claire C. M., de Merás, Alfredo Sánchez, Saue, Trond, Sauer, Stephan P. A., Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H., Sylvester-Hvid, Kristian O., Taylor, Peter R., Teale, Andrew M., Tellgren, Erik I., Tew, David P., Thorvaldsen, Andreas J., Thøgersen, Lea, Vahtras, Olav, Watson, Mark A., Wilson, David J. D., Ziolkowski, Marcin and Ågren, Hans (2013) The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews: Computational Molecular Science, 4 (3). pp. 269-284. ISSN 1759-0884

Andrews, Philip, Latham, Christopher M., Magre, Marc, Willcox, Darren and Woodward, Simon (2013) ZrCl₂(η-C₅Me₅)₂-AlHCl₂•(THF)₂: efficient hydroalumination of terminal alkynes and cross-coupling of the derived alanes. Chemical Communications, 49 (15). pp. 1488-1490. ISSN 1364-548X

Barthelme, Alexandre, Richards, David, Mellor, Ian R. and Stockman, Robert A. (2013) A two-directional approach to pyrrolizidines: total syntheses and biological evaluation of alkaloid cis-223B and (+/-)-xenovenine. Chemical Communications, 49 (89). pp. 10507-10509. ISSN 1364-548X

Best, Daniel and Lam, Hon Wai (2013) C=N-containing azaarenes as activating groups in enantioselective catalysis. Journal of Organic Chemistry, 79 (3). pp. 831-845. ISSN 0022-3263

Carbone, Giorgio, Burnley, James and Moses, John E. (2013) A catalytic and tert-butoxide ion-mediated amidation of aldehydes with para-nitro azides. Chemical Communications, 49 (27). pp. 2759-2761. ISSN 1364-548X

Carbone, Giorgio, Burnley, James and Moses, John E. (2013) Catalytic reduction of ortho- and para-azidonitrobenzenes via tert-butoxide ion mediated electron transfer. SYNLETT, 24 (5). pp. 652-656. ISSN 0936-5214

Casian, A.I. and Sanduleac, I.I. (2013) Organic thermoelectric materials: new opportunities. Journal of Thermoelectricity, 2013 (3). pp. 11-20. ISSN 1607-8829

Cini, Melchior, Bradshaw, Tracey D., Lewis, William and Woodward, Simon (2013) Cuprate addition to a 6-substituted pentafulvene: preparation of sec-alkyl substituted titanocene dichlorides and their biological activity. European Journal of Organic Chemistry, 2013 (19). pp. 3997-4007. ISSN 1099-0690

Cornelio, Benedetta, Rance, Graham A., Laronze-Cochard, Marie, Fontana, Antonella, Sapi, Janos and Khlobystov, Andrei N. (2013) Palladium nanoparticles on carbon nanotubes as catalysts of cross-coupling reactions. Journal of Materials Chemistry, 1 . pp. 8737-8744. ISSN 1364-5501

Crampton, Rosemary H., Fox, Martin and Woodward, Simon (2013) N-(Alkylsulfamoyl)aldimines: easily deprotected precursors for diarylmethylamine synthesis. Tetrahedron: Asymmetry, 24 (9-10). pp. 599-605. ISSN 0957-4166

Day, Jonathan, Uroos, Maliha, Castledine, Richard A., Lewis, William, McKeever-Abbas, Ben and Dowden, James (2013) Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides. Organic and Biomolecular Chemistry, 11 (38). pp. 6502-6509. ISSN 1477-0520

Do, Hainam and Besley, Nicholas A. (2013) Proton transfer or hemibonding? The structure and stability of radical cation clusters. Physical Chemistry Chemical Physics, 15 . pp. 16214-16219. ISSN 1463-9076

Do, Hainam and Besley, Nicholas A. (2013) Structure and bonding in ionized water clusters. Journal of Physical Chemistry A, 117 (25). pp. 5385-5391. ISSN 1089-5639

Do, Hainam, Deeth, Robert J. and Besley, Nicholas A. (2013) Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins. Journal of Physical Chemistry B, 117 (27). pp. 8105-8112. ISSN 1520-52707

Dubois, Nathalie, Glynn, Daniel, Mcinally, Thomas, Rhodes, Barrie, Woodward, Simon, Irvine, Derek and Dodds, Chris (2013) On DABAL-Me₃ promoted formation of amides. Tetrahedron, 69 (46). pp. 9890-9897. ISSN 0040-4020

Fray, Michael J., Macdonald, Simon J.F., Baldwin, Ian R., Barton, Nick, Brown, Jack, Campbell, Ian B., Churcher, Ian, Coe, Diane M., Cooper, Anthony W.J., Craven, Andrew P., Fisher, Gail, Inglis, Graham G.A., Kelly, Henry A., Liddle, John, Maxwell, Aoife C., Patel, Vipulkumar K., Swanson, Stephen and Wellaway, Natalie (2013) A practical drug discovery project at the undergraduate level. Drug Discovery Today, 18 (23-24). pp. 1158-1172. ISSN 1359-6446

Garcia, Gustavo A., Nahon, Laurent, Daly, Steven and Powis, Ivan (2013) Vibrationally induced inversion of photoelectron forward-backward asymmetry in chiral molecule photoionization by circularly polarized light. Nature Communications, 4 (2132). 2132/1-2132/6. ISSN ESSN: 2041-1723

Gardner, Adrian M., Green, Alistair M., Tamé-Reyes, Victor M., Wilton, Victoria H.K. and Wright, Timothy G. (2013) Vibrations of the low energy states of toluene ( X(1-A-1) and A(1-B-2) and the toluene cation (X+(2-B-1). Journal of Chemical Physics, 138 (13). p. 134303. ISSN 0021-9606

Hanson-Heine, Magnus W.D., George, Michael W. and Besley, Nicholas A. (2013) Calculating excited state properties using Kohn-Sham density functional theory. Journal of Chemical Physics, 138 (6). 064101/1-064101/8. ISSN 0021-9606

Inman, Martyn and Moody, Christopher J. (2013) Copper(II)-mediated synthesis of indolequinones from bromoquinones and enamines. European Journal of Organic Chemistry, 2013 (11). pp. 2179-2187. ISSN 1434-193X

Mahdavi, Jafar, Royer, Pierre-Joseph, Sjolinder, Hong S., Azimi, Sheyda, Self, Tim, Stoof, Jeroen, Wheldon, Lee M., Brannstrom, Kristoffer, Wilson, Raymond, Moreton, Joanna, Moir, James W.B., Sihlbom, Carina, Boren, Thomas, Jonssen, Ann-Beth, Soultanas, Panos and Ala'Aldeen, Dlawer A.A. (2013) Pro-inflammatory cytokines can act as intracellular modulators of commensal bacterial virulence. Open Biology, 3 . e130048/1-e130048/15. ISSN 2046-2441

Miah, Habeeba K., Bennett, David A., Iuga, Dinu and Titman, Jeremy J. (2013) Measuring proton shift tensors with ultrafast MAS NMR. Journal of Magnetic Resonance, 235 . pp. 1-5. ISSN 1090-7807

Powell, Andrew S., Stoeva, Zlatka, Lord, James S., Smith, Ronald I., Gregory, Duncan H. and Titman, Jeremy J. (2013) Insight into lithium transport in lithium nitridometallate battery materials from muon spin relaxation. Physical Chemistry Chemical Physics, 15 (3). pp. 816-823. ISSN 1463-9076

Rance, Graham A., Solomonsz, William A. and Khobystov, Andrei N. (2013) Click chemistry in carbon nanoreactors. Chemical Communications, 49 (11). pp. 1067-1069. ISSN 1364-548X

Rannou, Olivier, Le Chatelier, Emanuelle, Larson, Marilynn A., Nouri, Hamid, Dalmais, Bérengère, Laughton, Charles, Laurent, Jannière and Soultanas, Panos (2013) Functional interplay of DnaE polymerase, DnaG primase and DnaC helicase within a ternary complex, and primase to polymerase hand-off during lagging strand DNA replication in Bacillus subtilis. Nucleic Acids Research, 41 (10). pp. 5303-5320. ISSN 0305-1048

Robinson, Sarah, Davies, E. Stephen, Lewis, William, Blake, Alexander J. and Liddle, Stephen T. (2013) Alkali metal derivatives of an ortho-phenylene diamine. Dalton Transactions, 43 (11). pp. 4351-4360. ISSN 1477-9234

Staniforth, Michael, Daly, Steven, Reid, Katharine L. and Powis, Ivan (2013) A generic π* shape resonance observed in energy-dependent photoelectron angular distributions from two-colour, resonant multiphoton ionization of difluorobenzene isomers. Journal of Chemical Physics, 139 (6). 064304/1-064304/8. ISSN 0021-9606

2012

Do, Hainam and Besley, Nicholas A. (2012) Structural optimization of molecular clusters with density functional theory combined with basin hopping. Journal of Chemical Physics, 137 (13). 134106/1-134106/9. ISSN 0021-9606

Do, Hainam and Besley, Nicholas A. (2012) Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper-cysteine bond. Journal of Physical Chemistry A, 116 (33). pp. 8507-8514. ISSN 1089-5639

Hook, Andrew L., Chang, Chien-Yi, Yang, Jing, Luckett, Jeni, Cockayne, Alan, Atkinson, Steve, Mei, Ying, Bayston, Roger, Irvine, Derek J., Langer, Robert, Anderson, Daniel G., Williams, Paul, Davies, Martyn C. and Alexander, Morgan R. (2012) Combinatorial discovery of polymers resistant to bacterial attachment. Nature Biotechnology, 30 (9). pp. 868-875. ISSN 1546-1696

2011

Baker, J.A. and Hirst, J.D. (2011) Molecular dynamics simulations using graphics processing units. Molecular Informatics, 30 (6-7). 498 -504. ISSN 1868-1751

Collier, Christopher, Machon, Cristina, Briggs, Geoff S., Smits, Wiep Klaas and Soultanas, Panos (2011) Untwisting of the DNA helix stimulates the endonuclease activity of Bacillus subtilis Nth at AP sites. Nucleic Acids Research, 40 (2). pp. 739-750. ISSN 0305-1048

Hussain, A., Shaw, P.E. and Hirst, J.D. (2011) Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain. Journal of Cheminformatics, 3 (49). ISSN 1758-2946

Niaz, Akbar, Boatwright, Adrian, Voisey, K.T. and Walsh, Darren A. (2011) Scanning electrochemical microscopy at thermal sprayed anti-corrosion coatings: effect of thermal spraying on heterogeneous electron transfer kinetics. Journal of Electroanalytical Chemistry, 657 (1-2). pp. 46-53. ISSN 1572-6657

Oakley, Mark T., Hainam, Do, Hirst, J.D. and Wheatley, Richard J. (2011) First principles predictions of thermophysical properties of refrigerant mixtures. Journal of Chemical Physics, 134 . p. 114518. ISSN 0021-9606

Spain, Sebastian G. and Cameron, Neil R. (2011) A spoonful of sugar: the application of glycopolymers in therapeutics. Polymer Chemistry, 2011 (2). p. 60. ISSN 1759-9954

2010

Grainger, William H., Machón, Cristina, Scott, David J. and Soultanas, Panos (2010) DnaB proteolysis in vivo regulates oligomerization and its localization at oriC in Bacillus subtilis. Nucleic Acids Research, 38 (9). pp. 2851-2864. ISSN 0305-1048

Kountouris, Peter and Hirst, J.D. (2010) Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures. BMC Bioinformatics, 11 . p. 407. ISSN 1471-2105

Machόn, Cristina, Thomson, N.H., Lynch, G.P., Scott, David J., Thomas, C.D. and Soultanas, Panos (2010) RepD-mediated recruitment of PcrA helicase at the Staphylococcus aureus pC221 plasmid replication origin, oriD. Nucleic Acids Research, 38 (6). pp. 1874-1888. ISSN 0305-1048

2009

Jain, Pooja and Hirst, J.D. (2009) Exploring protein structural dissimilarity to facilitate structure classification. BMC Structural Biology, 9 . p. 60. ISSN 1472-6807

2008

Schneider, S., Zhang, Wenke, Soultanas, Panos and Paoli, Max (2008) Structure of the N-terminal oligomerization domain of DnaD reveals a unique tetramerization motif and provides insights into scaffold formation. Journal of Molecular Biology, 376 (5). pp. 1237-1250. ISSN 0022-2836

2006

Ioannou, Charikleia, Schaeffer, Patrick M., Dixon, Nicholas E. and Soultanas, Panos (2006) Helicase binding to DnaI exposes a cryptic DNA-binding site during helicase loading in Bacillus subtilis. Nucleic Acids Research, 34 (18). pp. 5247-5258. ISSN 0305-1048

Zhang, Wenke, Allen, Stephanie, Roberts, Clive J. and Soultanas, Panos (2006) The Bacillus subtilis primosomal protein DnaD untwists supercoiled DNA. Journal of Bacteriology, 188 (15). pp. 5487-5493. ISSN 0021-9193

2005

Soultanas, Panos (2005) The bacterial helicase-primase interaction: a common structural/functional module. Structure, 13 (6). pp. 839-844. ISSN 0969-2126

Wattis, Jonathan A.D. and Coveney, Peter V. (2005) Chiral polymerisation and the RNA world. International Journal of Astrobiology, 4 (1). pp. 63-73.

2004

Thirlway, Jenny, Turner, Ian J., Gibson, Christopher T., Gardiner, Laurence, Brady, Kevin, Allen, Stephanie, Roberts, Clive J. and Soultanas, Panos (2004) DnaG interacts with a linker region that joins the N- and C-domains of DnaB and induces the formation of 3-fold symmetric rings. Nucleic Acids Research, 32 (10). pp. 2977-2986. ISSN 0305-1048

1975

Brailsford, David F. (1975) Approximate ab initio calculations and the method of molecular fragments. In: Quantum Chemistry - The State of the Art, 8-10 April 1974, St Catherine's College Oxford.

Brailsford, David F., Hall, G. G., Hemming, N. and Martin, D. (1975) Floating s- and p-type Gaussian Orbitals. Chemical Physics Letters, 35 (4). pp. 437-440.

1973

Brailsford, David F. and Hylton, Jane (1973) Fast assembly of fock matrices utilising symmetry properties of the basis set. Chemical Physics Letters, 18 (4). pp. 595-597.

1971

Brailsford, David F. and Ford, Brian (1971) 3-body energy terms in a quartet state of H3. Chemical Physics Letters, 12 (1). pp. 60-61.

Brailsford, David F. and Hall, George G. (1971) Symmetry properties of one- and two- electron molecular integrals. International Journal of Quantum Chemistry, V . pp. 657-668.

1970

Brailsford, David F. (1970) Electric field strengths and ion trajectories in sharp-edge field ionization sources. Journal of Physics D: Applied Physics, 3 . pp. 196-202.

Brailsford, David F. and Ford, Brian (1970) Calculated ionization potentials of the linear alkanes. Molecular Physics, 18 (5). pp. 621-630.

1968

Brailsford, David F. and Robertson, Andrew J. B. (1968) Calculation of electric field strengths at a sharp edge. International Journal of Mass Spectrometry and Ion Physics, 1 . pp. 75-85.

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