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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)

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

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

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)

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 . ISSN 1364-548X

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

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 . ISSN 1094-1622 (In Press)

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 . 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

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

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

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 . ISSN 1089-7690 (In Press)

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

Burroughs, Laurence and Ritchie, John and Woodward, Simon (2016) Understanding anionic Chugaev elimination in pericyclic tetracene formation. Tetrahedron . ISSN 0040-4020 (In Press)

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

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 . ISSN 1089-7690 (In Press)

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

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

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

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 . pp. 7122-7133. ISSN 2155-5435

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 . ISSN 1520-5215

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

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

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

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

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

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). 032519-1-032519-8. 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

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

Irons, Tom J.P. and Teale, Andrew M. (2015) The coupling constant averaged exchange–correlation energy density. Molecular Physics . pp. 1-14. ISSN 1362-3028

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

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

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

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

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

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

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

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

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

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

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

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

Cini, Melchior and Bradshaw, Tracey D. and Lewis, William and Woodward, Simon (2014) Cuprate addition to a 6-substituted pentafulvene: preparation of sec-alkyl substituted titanocene dichlorides and their biological activity. European Journal of Organic Chemistry . ISSN 1099-0690

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

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

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

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

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

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

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.

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 Defective recognition of ATG8/LC3B by mutant SQSTM1/p62 implicates impairment of autophagy as a pathogenic mechanism in ALS-FTLD. Autophagy . ISSN 1554-8627 (In Press)

This list was generated on Sat May 28 05:04:12 2016 IST.