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Soukarieh, Fadi and Nowicki, Matthew W. and Bastide, Amandine and Poyry, Tuija and Jones, Carolyn and Dudek, Kate and Patwardhan, Geetanjali and Meullenet, François and Oldham, Neil J. and Walkinshaw, Malcolm D. and 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

Tuttle, William D. and Thorington, Rebecca L. and Viehland, Larry A. and Wright, Timothy G. (2016) Theoretical study of Si+(2PJ)-RG complexes and transport of Si+(2PJ) in RG (RG = He – Ar). Molecular Physics . ISSN 1362-3028 (In Press)

Tailor, Pritesh M. and Wheatley, Richard J. and Besley, Nicholas A. (2016) An empirical force field for the simulation of the vibrational spectroscopy of carbon nanomaterials. Carbon . ISSN 0008-6223 (In Press)

Benson, Oguarabau and Da Silva, Ivan and Argent, Stephen P. and Cabot, Rafel and Savage, Mathew and Godfrey, Harry G.W. and Yan, Yong and Parker, Stewart F. and Manuel, Pascal and Lennox, Matthew J. and Mitra, Tamoghna and Easun, Timothy L. and Lewis, William and Blake, Alexander J. and Besley, Elena and 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

Manzi, Lucio and Barrow, Andrew S. and Scott, Daniel and Layfield, Robert and Wright, Timothy G. and 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

Hurd, Catherine A. and 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

Turyanska, Lyudmila and Moro, Fabrizio and Patanè, Amalia and Barr, James and Köckenberger, Walter and Taylor, Alexander and Faas, Henryk and Fowler, Maxine J. and Wigmore, Peter and Trueman, Rebecca C. and 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

Newton, Graham and Oshio, Hiroki and Cameron, Jamie and Fujimoto, Satomi and Kastner, Katharina and Wei, Rong Jia and Robinson, David and Sans, Victor (2016) Orbital engineering: photoactivation of an organofunctionalized polyoxotungstate. Chemistry - a European Journal . ISSN 1521-3765

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

Orte, Angel and Debroye, Elke and Ruedas-Rama, Maria J. and Garcia-Fernandez, Emilio and Robinson, David and Crovetto, Luis and Talavera, Eva M. and Alvarez-Pez, Jose M. and Leen, Volker and Verbelen, Bram and Dias de Rezende, Lucas Cunha and Dehaen, Wim and Hofkens, Johan and 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

Wei, Rong Jia and Nakahara, Ryohei and Cameron, Jamie M. and Newton, Graham and Shiga, Takuya and Sagayama, Hajime and Kumai, Reiji and 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

Solé-Daura, Albert and Goovaerts, Vincent and Stroobants, Karen and Absillis, Gregory and Jiménez-Lozano, Pablo and Poblet, Josep M. and Hirst, J.D. and 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

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

Kapranas, Apostolos and Snart, Charles J.P. and Williams, Huw Edward Llewelyn and 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

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

Rafiee Fanood, Mohammad M. and 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

Kakde, Deepak and Taresco, Vincenzo and Bansal, Kuldeep Kumar and Magennis, E. Peter and Howdle, Steven M. and Mantovani, Giuseppe and 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

Cho, Yong-Jin and Summerfield, Alex and Davies, Andrew and Cheng, Tin S. and Smith, Emily F. and Mellor, Christopher J. and Khlobystov, Andrei N. and Foxon, C. Thomas and Eaves, Laurence and 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

Sadoon, Ahmed M. and Sarma, Gautam and Cunningham, Ethan M. and Tandy, Jon and Hanson-Heine, Magnus W.D. and Besley, Nicholas A. and 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

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

Newton, Graham and Hoshino, Norihisa and Matsumoto, Takuto and Shiga, Takuya and Nakano, Motohiro and Nojiri, Hiroyuki and 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

Gardner, Adrian M. and Tuttle, William D. and Whalley, Laura and Clayton, Andrew and 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

Wang, Qiang and Martin, Lee and Blake, Alexander J. and Day, Peter and 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

Contente, Martina Letizia and Planchestainer, Matteo and 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

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

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

Korkis, Stamatis E. and 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

Luza, Leandro and Rambor, Camila P. and Gual, Aitor and Bernardi, Fabiano and Domingos, Josiel B. and Thomas, Grehl and 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

Matabosch Coromina, Helena and Adeniran, Beatrice and 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

Longo Jr, Luiz S. and 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

Kakde, Deepak and Powell, Leagh G. and Bansal, Kuldeep K. and Howdle, Steve and Irvine, Derek and Mantovani, Giuseppe and Millar, Gavin and Dailey, Lea Ann and Stone, Vicki and 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 . ISSN 1873-4995

Saska, J. and Lewis, W. and 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

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)

Eccleshare, Lee and Lozada-Rodriguez, Leticia and Cooper, Phillippa and Burroughs, Laurence and Ritchie, John and 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 . ISSN 1521-3765 (In Press)

Daly, Stephen and Tia, Maurice and Garcia, Gustavo A. and 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

Gomm, Andrew and Lewis, William and 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

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

Do, Hainam and Feng, Chao and Schultz, Andrew J. and 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

Goode, Alice and Butler, Kevin and Long, Jed and Cavey, James and Daniel, Scott and Shaw, Barry and Sollenberger, Jill and Gell, Christopher and Johansen, Terje and Oldham, Neil J. and 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

Jennings, James and He, Guping and 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

Clarke, Christopher and 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

McAllister, Thomas D. and 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

Wang, Jing and Xu, Fang and Wheatley, R.J. and 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)

Botos, Akos and Biskupek, Johannes and Chamberlain, Thomas W. and Rance, Graham A. and Stoppiello, Craig T. and Sloan, Jeremy and Liu, Zheng and Suenaga, Kazutomo and 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

Goddard, Amy R. and Pérez-Nieto, Sara and Passos, Thayse Marques and Quilty, Brid and Carmichael, Kim and 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

Meng, Qing-Yang and Pepper, Katie and Cheng, Rui-Hua and 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

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

Floris, Andrea and Haq, Sam and Veld, Mendel In't and Amabilino, David A. and 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

Asiani, Karishma R. and Williams, Huw Edward Llewelyn and Bird, Louise and Jenner, Matthew and Searle, Mark S. and Hobman, Jon L. and 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

Balakrishnan, Nilanthy and Staddon, Christopher R. and Smith, Emily F. and Stec, Jakub and Gay, Dean and Mudd, Garry W. and Makarovsky, Oleg and Kudrynskyi, Zakhar R. and Kovalyuk, Zakhar D. and Eaves, Laurence and 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)

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

Lee, Darren S. and Durán-Peña, Maria Jesus and 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

Vuckovic, Stefan and Irons, Tom J.P. and Savin, Andreas and 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

Day, Jonathan and 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

Nahon, Laurent and Nag, Lipsa and Garcia, Gustavo A. and Myrgorodska, Iuliia and Meirerhenrich, Uwe and Beaulieu, Samuel and Wanie, Vincent and Blanchet, Valerie and 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

Souza, Virginia S. and Scholten, Jackson D. and Weibel, Daniel E. and Eberhardt, Dario and Baptista, Daniel L. and 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

Furness, James W. and Ekström, Ulf and 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

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

Sainz, M.F. and Souto, J.A. and Regentova, D. and Johansson, M.K.G. and Timhagen, S.T. and Irvine, Derek J. and Buijsen, P. and Koning, C.E. and 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

Saquet, N. and Holland, D.M.P. and Pratt, S.T. and Cubaynes, D. and Tang, X. and Garcia, G.A. and 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

Sicilia, Giovanna and Davis, Adrienne L. and Spain, Sebastian G. and Magnusson, Johannes P. and Boase, Nathan R. B. and 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

Goode, Alice and Butler, Kevin and Long, Jed and Cavey, James and Scott, Daniel and Shaw, Barry and Sollenberger, Jill and Gell, Christopher and Johansen, Terje and Oldham, Neil J. and 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)

Zoberbier, Thilo and Chamberlain, Thomas W. and Biskupek, Johannes and Suyetin, Mikhail and Majouga, Alexander G. and Besley, Elena and 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

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

Jenner, Matthew and Afonso, José P. and Kohlhaas, Christoph and Karbaum, Petra and Frank, Sarah and 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

O'Connor, Alice E. and Mirzadeh, Nedaossadat and Bhargava, Suresh and Easun, Timothy L. and 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

Nicolle, Simon M. and Lewis, William and 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

Yan, Yong and Juricek, Michal and Coudert, Francois-Xavier and Vermeulan, Nicolaas A. and Grunder, Sergio and Dailly, Anne and Lewis, William and Blake, Alexander J. and 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

Summerfield, Alex and Davies, Andrew and Cheng, Tin S. and Korolkov, Vladimir V. and Cho, YongJin and Mellor, Christopher J. and Foxon, C. Thomas and Khlobystov, Andrei N. and Watanabe, Kenji and Taniguchi, Takashi and Eaves, Laurence and 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

Hanson-Heine, Magnus W.D. and Husseini, Fouad S. and 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

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

Laybourn, Andrea and Katrib, Juliano and Palade, Paula A. and Easun, Timothy L. and Champness, Neil R. and 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

Mulholland, Sam and Turpin, Eleanor R. and 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

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

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

Palframan, Matthew J. and Alharthy, Rima D. and 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

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

Andrejeva, Anna and Gardner, Adrian M. and 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

Blundell, R. K. and Delorme, A. and 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)

Gregson, Matthew and Lu, Erli and Tuna, Floriana and McInnes, Eric J.L. and Hennig, Christoph and Scheinost, Andreas C. and McMaster, Jonathan and Lewis, William and Blake, Alexander J. and 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

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

Green, Matthew and Hatter, Louise and Brookes, Emre and 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

Sicilia, Giovanna and Davis, Adrienne L. and Spain, Sebastian G. and Magnusson, Johannes P. and Boase, Nathan R.B. and 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

Barton, Naomi A. and Marsh, Benjamin J. and Narraidoo, Nathalie and Seymour, Graham B. and 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 . pp. 3102-3107. ISSN 2041-6539

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

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

Andrejeva, Anna and Tuttle, William D. and 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)

Kuruppu, Anchala I. and Zhang, Lei and Collins, Hilary M. and Turyanska, Lyudmila and 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

Humphreys, Christopher M. and McLean, Samantha and Schatschneider, Sarah and Millat, Thomas and Henstra, Anne M. and Annan, Florence J. and Breitkopf, Florence and Pander, Bart and Piatek, Pawel and Rowe, Peter and Wichlacz, Alexander T. and Woods, Craig and Norman, Rupert and Blom, Jochen and Goesman, Alexander and Hodgman, Charlie and Barrett, David and Thomas, Neil R. and 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

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

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

Jennings, J. and Bassett, S. and Hermida-Merino, D. and Portale, G. and Bras, W. and Knight, L. and Titman, Jeremy J. and Higuchi, T. and 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

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

Martínez, Jose I. and Smith, Joshua S. and 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. and Blake, Alexander J. and 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

Coromina, Helena Matabosch and 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

Kuruppu, Anchala I. and Zhang, Lei and Collins, Hilary M. and Turyanska, Lyudmila and 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 2192-2659

Oliveras-Gonzalez, Cristina and Di Meo, Florent and Gonzalez-Campo, Arentzazu and Beljonne, David and Norman, Patrick and Maite, Simon-Sorbed and 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

Jarvis, S.P. and Taylor, S. and Baran, J.D. and Thompson, D. and Saywell, Alexander and Mangham, Barry and Champness, Neil R. and 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

Cini, Melchior and Bradshaw, Tracey D. and 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

Curia, S. and Barclay, A.F. and Torron, S. and 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

Wang, Jing and Xu, Fang and Wheatley, Richard J. and Choy, Kwang-Leong and 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

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

Bansal, Kuldeep K. and Kakde, Deepak and Purdie, Laura and Irvine, Derek J. and Howdle, Steven M. and 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

Ejigu, Andinet and 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

Wada, Hiroki and 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

Andrejeva, Anna and 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

Zannotti, Marco and Wood, Christopher J. and Summers, Gareth H. and Stevens, Lee A. and Hall, Matthew R. and Snape, Colin E. and 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

Peach, Michael J.G. and Teale, Andrew M. and 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

Martini, Francesca and Miah, Habeeba K. and Iuga, Dinu and 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

Perotto, Carlo U. and Marshall, George and Jones, Graham J. and Lewis, William and 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

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

Teale, Andrew M. and 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

Andrejeva, Anna and Tuttle, William D. and 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

Sanduleac, I. and Casian, A. (2015) Modeling of thermoelectric properties of n – type organic crystals of TTT(TCNQ)2: 3D physical model. Journal of Electronic Materials . ISSN 1543-186X

Korolkov, Vladimir V. and Svatek, Simon A. and Summerfield, Alex and Kerfoot, James and Yang, Lixu and Taniguchi, Takashi and Watanabe, Kenji and Champness, Neil R. and 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

Kyyaly, Mohammad Aref and 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

Furness, James W. and Verbeke, Joachim and Tellgren, Erik I. and Stopkowicz, Stella and Ekström, Ulf and 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

Zamberlan, Francesco and Lesbats, Clémentine and Rogers, Nicola J. and Krupa, James L. and Pavlovskaya, Galina E. and Thomas, Neil R. and 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

Sarce Thomann, Fernando and Hall, Matthew R. and 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

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

Reimann, Sarah and Ekström, Ulf and Stopkowicz, Stella and Teale, Andrew M. and 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

Turyanska, Lyudmila and Makarovsky, Oleg and Svatek, Simon A. and Beton, Peter H. and Mellor, Christopher J. and Patanè, Amalia and Eaves, Laurence and Thomas, Neil R. and Fay, Michael W. and 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

Jeffs, Jay and Besley, Nicholas A. and Stace, Anthony J. and Sarma, Gautam and Cunningham, Ethan M. and Boatwright, Adrian and 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

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

Blunt, Christopher and Torcuk, Canan and Liu, Yang and Lewis, William and Siegel, David and 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

Nicolle, Simon M. and Lewis, William and 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

Ejigu, Andinet and 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

Hanson-Heine, Magnus W.D. and Wrigglesworth, Alisdair and Uroos, Maliha and Calladine, James A. and Murphy, Thomas S. and Hamilton, Michelle and Clark, Ian P. and Towrie, Michael and Dowden, James and 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

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

Ortu, Fabrizio and Moxey, Graeme J. and Blake, Alexander J. and 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

Scott, Daniel and 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

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

Rebolini, Elisa and Toulouse, Julien and Teale, Andrew M. and 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

Jarvis, Samuel Paul and Sweetman, Adam and Lekkas, Ioannis and Champness, Neil R. and 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

Andrejeva, Anna and Gardner, Adrian M. and Graneek, Jack B. and 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

Allan, David R. and Blake, Alexander J. and Schröder, Martin and 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

Ershova, Olga V. and Klos, Jacek and 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

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

Khan, Imtiaz and 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

Svatek, Simon A. and Scott, Oliver R. and Rivett, Jasmine P.H. and Wright, Katherine and Baldoni, Matteo and Bichoutskaia, Elena and Taniguchi, Takashi and Watanabe, Kenji and Marsden, Alexander J. and 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

Cheng, Chi Y. and Ryley, Matthew S. and Peach, Michael J.G. and Tozer, David J. and 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

Summerfield, Alex and Cebula, Izabela and 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

Yang, Sihai and Ramirez-Cuesta, Anibal J. and Newby, Ruth and Garcia-Sakai, Victoria and Manual, Pascal and Callear, Samantha K. and Campbell, Stuart I. and 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

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

Harris, Joe P. and Andrejeva, Anna and Tuttle, William D. and Pugliesi, Igor and 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

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

Slater, Anna G. and Hu, Ya and Yang, Lixu and Argent, Stephen P. and Lewis, William and 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

Liew, Soon Yee and 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

Xiao, Bo and Easun, Timothy L. and Dhakshinamoorthy, Amarajothi and Cebula, Izabela and Beton, Peter H. and Titman, Jeremy J. and Garcia, Hermenegildo and 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

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

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

Andrejeva, Anna and 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

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

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

Turpin, E.R. and Mulholland, S. and Teale, A.M. and 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. and Mulholland, Sam and Teale, Andrew M. and 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

Adams, James and Anderson, Edward C. and Blackham, Emma E. and Chiu, Yin Wa Ryan and Clarke, Thomas and Eccles, Natasha and Gill, Luke A. and Haye, Joshua J. and Haywood, Harvey T. and Hoenig, Christian R. and Russell, Hannah L. and Smedley, Christopher and Tipping, William J. and Tongue, Tom and Wood, Charlotte C. and Yeung, Jason and Rowedder, James E. and Fray, Michael J. and 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

Lu, Jian and Perez-Krap, Cristina and Suyetin, Mikhail and Alsmail, Nada H. and Yan, Yong and Yang, Sihai and Lewis, William and Bichoutskaia, Elena and Tang, Chiu C. and Blake, Alexander J. and 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

Harris, Joe P. and Dodson, Hannah and 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

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

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

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

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

Midgley, Jonathan and 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

Bichoutskaia, E. and Suyetin, M. and Bound, M. and 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

Green, Matthew and Gilhooly, Neville S. and Abedeen, Shahriar and Scott, David J. and 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

Kujawa, Szymon and Best, Daniel and 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

Tang, Xiaoping and Chapman, Charlotte and 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

Savage, Mathew and Yang, Sihai and Suyetin, Mikhail and Bichoutskaia, Elena and Lewis, William and Blake, Alexander J. and 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

Alsmail, Nada H. and Suyetin, Mikhail and Yan, Yong and Cabot, Rafel and Krap, Christina P. and Lü, Jian and Easun, Timothy L. and Biskoutskaia, Elena and Lewis, William and 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

Kulkarni, Prajna R. and Jia, Tao and Kuehne, Sarah H. and Kerkering, Thomas M. and Morris, Elizabeth R. and Searle, Mark S. and Heeb, Stephan and 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

Summers, Peter A. and Dawson, Joe and Ghiotto, Fabio and Hanson-Heine, Magnus W. D. and Vuong, Khuong Q. and Davies, E. Stephen and Sun, Xue-Z. and Besley, Nicholas A. and McMaster, Jonathan and 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

Blundell, Toby J. and Hastings, Fiona R. and Gridley, Benjamin M. and Moxey, Graeme J. and Blake, Alexander J. and 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

King, David M. and McMaster, Jonathan and Tuna, Floriana and McInnes, Eric J.L. and Lewis, William and 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

Sanduleac, Ionel and 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

Borgoo, Alex and 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

Gardner, Adrian M. and Green, Alistair M. and Tamé-Reyes, Victor M. and Reid, Katharine L. and Davies, Julia A. and 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

Luo, Yunfei and Roy, Iain D. and 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

Kvaal, Simen and Ekström, Ulf and 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

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

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

Dutton, Bridie L. and Kitson, Russell R.A. and Parry-Morris, Sarah and Roe, S. Mark and 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

Harris, Joe and Manship, Daniel and 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

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

Lebedeva, Maria A. and Chamberlain, Thomas W. and Davies, E. Stephen and Thomas, Bradley E. and Schröder, Martin and Khlobystov, Andei 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

Kathirgamanathan, Poopathy and Surendrakumar, Sivagnanasundram and 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

Yang, Sihai and 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

Tellgren, Erik I. and Teale, Andrew M. and Furness, James W. and Lange, K.K. and 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

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

Aguado-Ullate, Sonia and Baker, J.A. and González-González, Vanessa and Müller, Christian and 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

Teale, Andrew M. and De Proft, F. and 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

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

Korolkov, Vladimir V. and Svatek, Simon A. and Allen, Stephanie and Roberts, Clive J. and Tendler, Saul J.B. and Taniguchi, Takashi and Watanabe, Kenji and 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

Wieland, Maria B. and Slater, Anna G. and Mangham, Barry and 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

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

Yan, Yong and Yang, Sihai and 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

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

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

Fray, Michael J. and Macdonald, Simon J.F. and Baldwin, Ian R. and Barton, Nick and Brown, Jack and Campbell, Ian B. and Churcher, Ian and Coe, Diane M. and Cooper, Anthony W.J. and Craven, Andrew P. and Fisher, Gail and Inglis, Graham G.A. and Kelly, Henry A. and Liddle, John and Maxwell, Aoife C. and Patel, Vipulkumar K. and 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

Barthelme, Alexandre and Richards, David and 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

Mahdavi, Jafar and Royer, Pierre-Joseph and Sjolinder, Hong S. and Azimi, Sheyda and Self, Tim and Stoof, Jeroen and Wheldon, Lee M. and Brannstrom, Kristoffer and Wilson, Raymond and Moreton, Joanna and Moir, James W.B. and Sihlbom, Carina and Boren, Thomas and Jonssen, Ann-Beth and 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

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

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

Day, Jonathan and Uroos, Maliha and Castledine, Richard A. and Lewis, William and 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

Staniforth, Michael and Daly, Steven and 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

Miah, Habeeba K. and Bennett, David A. and 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

Garcia, Gustavo A. and Nahon, Laurent and 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

Cini, Melchior and Bradshaw, Tracey D. and 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

Do, Hainam and 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 1520-6106

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

Crampton, Rosemary H. and 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

Rannou, Olivier and Le Chatelier, Emanuelle and Larson, Marilynn A. and Nouri, Hamid and Dalmais, Bérengère and Laughton, Charles and 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

Afonso, José P. and Chintakayala, Kiran and Suwannachart, Chatrudee and Sedelnikova, Svetlana and Giles, Kevin and Hoyes, John B. and Soultanas, Panos and 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

Gardner, Adrian M. and Green, Alistair M. and Tamé-Reyes, Victor M. and 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

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

Hanson-Heine, Magnus W.D. and 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

Carbone, Giorgio and 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 and 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

Powell, Andrew S. and Stoeva, Zlatka and Lord, James S. and Smith, Ronald I. and 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

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

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

Andrews, Philip and Latham, Christopher M. and Magre, Marc and 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

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

Hook, Andrew L. and Chang, Chien-Yi and Yang, Jing and Luckett, Jeni and Cockayne, Alan and Atkinson, Steve and Mei, Ying and Bayston, Roger and Irvine, Derek J. and Langer, Robert and Anderson, Daniel G. and Williams, Paul and 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

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

Hussain, A. and 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

Collier, Christopher and Machon, Cristina and Briggs, Geoff S. and 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

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

Niaz, Akbar and Boatwright, Adrian and 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. and Hainam, Do and 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

Grainger, William H. and Machón, Cristina and 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

Machόn, Cristina and Thomson, N.H. and Lynch, G.P. and Scott, David J. and 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

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

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

Schneider, S. and Zhang, Wenke and 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

Zhang, Wenke and Allen, Stephanie and 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

Ioannou, Charikleia and Schaeffer, Patrick M. and 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

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.

Thirlway, Jenny and Turner, Ian J. and Gibson, Christopher T. and Gardiner, Laurence and Brady, Kevin and Allen, Stephanie and 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

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

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

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.

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

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 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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