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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

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

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

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

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

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

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

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

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

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

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, 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, 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

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

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 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

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)

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

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

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

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

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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

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

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

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)

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

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

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

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

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

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

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

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

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

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

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

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)

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

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)

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

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

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

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

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

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

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

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

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.

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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

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

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

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

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, 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

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

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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

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

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

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

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

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

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

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

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

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

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

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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

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

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, 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

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

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

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., 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

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

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

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

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

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

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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

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

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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

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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

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

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

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

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

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

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

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

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, 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

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

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

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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

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, 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

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

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

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

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

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

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

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

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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 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

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

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

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

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

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

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

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

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

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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

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

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

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

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

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

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

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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

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

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

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

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

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. 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)

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

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

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

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

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

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

G

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

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

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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

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

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

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

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

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

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

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

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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

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

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

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

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

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

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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

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

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

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

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

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

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

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

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

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

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

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

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

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

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)

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

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

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

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

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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

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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

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

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

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

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

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

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

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

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

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)

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

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

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

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

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

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

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

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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

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

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

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

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

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

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

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

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

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

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

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

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

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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

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

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

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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

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

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

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

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

Z

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

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

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

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

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

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

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