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Number of items: 288.
Article
| Adisoejoso, J and Tahara, K and Lei, S and Szabelski, P and Rżysko, W and Inukai, K and Blunt, MO and Tobe, Y and De Feyter, S (2012) One building block, two different nanoporous self-assembled monolayers: a combined STM and Monte Carlo study. ACS Nano , 6 (1) 897 - 903. 10.1021/nn204398m. |
| Ainsworth, RI and Di Tommaso, D and Christie, JK and de Leeuw, NH (2012) Polarizable force field development and molecular dynamics study of phosphate-based glasses. JOURNAL OF CHEMICAL PHYSICS , 137 (23) , Article ARTN 234502. 10.1063/1.4770295. |
| Al-Jibori, SA and Al-Saraj, EGH and Hollingsworth, N and Hogarth, G (2012) Palladium(II) complexes with 2-acetylamino-5-mercapto-1,3,4-thiadiazolate (amta) ligands: Molecular structures of the all trans dipalladium "paddlewheel" Pd-2(mu-amta)(4) and Pd(kappa(1)-amta)(2)(kappa(2)-dppe). POLYHEDRON , 44 (1) 210 - 214. 10.1016/j.poly.2012.07.004. |
| Al-Jibori, SA and Khaleel, TF and Ahmed, SAO and Al-Hayaly, LJ and Merzweiler, K and Wagner, C and Hogarth, G (2012) Heteroleptic palladium(II) and platinum(II) complexes of 1,1-bis(diphenylphosphino)ferrocene (dppf) and heterocyclic thionates: Crystal structures of [Pt(Phozt)(2)(kappa(2)-dppf)] (PhoztH=5-phenyl-1,3,4-oxadiazole-2-thione) and [Pd(bzoxt)(2)(kappa(2)-dppf)] (bzoxtH = benz-1,3-oxazoline-2-thione). POLYHEDRON , 41 (1) 20 - 24. 10.1016/j.poly.2012.04.007. |
| Albonetti, S and Pasini, T and Lolli, A and Blosi, M and Piccinini, M and Dimitratos, N and Lopez-Sanchez, JA and Morgan, DJ and Carley, AF and Hutchings, GJ and Cavani, F (2012) Selective oxidation of 5-hydroxymethyl-2-furfural over TiO2-supported gold-copper catalysts prepared from preformed nanoparticles: Effect of Au/Cu ratio. CATALYSIS TODAY , 195 (1) 120 - 126. 10.1016/j.cattod.2012.05.039. |
| Alhumaimess, M and Lin, Z and Weng, W and Dimitratos, N and Dummer, NF and Taylor, SH and Bartley, JK and Kiely, CJ and Hutchings, GJ (2012) Oxidation of benzyl alcohol by using gold nanoparticles supported on ceria foam. ChemSusChem , 5 (1) 125 - 131. 10.1002/cssc.201100374. |
| Aliev, AE and Courtier-Murias, D (2012) Correction to "Experimental Verification of Force Fields for Molecular Dynamics Simulations Using Gly-Pro-Gly-Gly". J Phys Chem B 10.1021/jp305793j. |
| Aliev, AE and Mia, ZA and Busson, MJ and Fitzmaurice, RJ and Caddick, S (2012) Diastereomer configurations from joint experimental-computational analysis. J Org Chem , 77 (14) 6290 - 6295. 10.1021/jo301119h. |
| Aliev, AE and Mia, ZA and Khaneja, HS and King, FD (2012) Structures in solutions from joint experimental-computational analysis: applications to cyclic molecules and studies of noncovalent interactions. J Phys Chem A , 116 (3) 1093 - 1109. 10.1021/jp211083f. |
| Almora-Barrios, N and De Leeuw, NH (2012) Molecular Dynamics Simulation of the Early Stages of Nucleation of Hydroxyapatite at a Collagen Template. CRYSTAL GROWTH & DESIGN , 12 (2) 756 - 763. 10.1021/cg201092s1. |
| Anderson, JC and Blake, AJ and Koovits, PJ and Stepney, GJ (2012) Diastereoselective reductive nitro-Mannich reactions. J Org Chem , 77 (10) 4711 - 4724. 10.1021/jo300535h. |
| Anderson, JC and Horsfall, LR and Kalogirou, AS and Mills, MR and Stepney, GJ and Tizzard, GJ (2012) Stereoselective synthesis of densely functionalized pyrrolidin-2-ones by a conjugate addition/nitro-Mannich/lactamization reaction. J Org Chem , 77 (14) 6186 - 6198. 10.1021/jo301000r. |
| Anderson, JC and Moreno, RB (2012) Synthesis of ureas from titanium imido complexes using CO2 as a C-1 reagent at ambient temperature and pressure. Org Biomol Chem , 10 (7) 1334 - 1338. 10.1039/c1ob06576a. |
| Anderson, JC and Noble, A and Tocher, DA (2012) Reductive nitro-Mannich route for the synthesis of 1,2-diamine containing indolines and tetrahydroquinolines. J Org Chem , 77 (16) 6703 - 6727. 10.1021/jo3010827. |
| Anderson, JC and Noble, A and Torres, PR (2012) An intramolecular nitro-Mannich route to functionalised tetrahydroquinolines. TETRAHEDRON LETTERS , 53 (42) 5707 - 5710. 10.1016/j.tetlet.2012.08.062. |
| Baboo, JZ and Galman, JL and Lye, GJ and Ward, JM and Hailes, HC and Micheletti, M (2012) An automated microscale platform for evaluation and optimization of oxidative bioconversion processes. Biotechnology Progress , 28 (2) 392 - 405. |
| Baboo, JZ and Galman, JL and Lye, GJ and Ward, JM and Hailes, HC and Micheletti, M (2012) An automated microscale platform for evaluation and optimization of oxidative bioconversion processes. Biotechnol Prog , 28 (2) 392 - 405. 10.1002/btpr.1500. |
| Bachman, M and Mann, SE and Sheppard, TD (2012) Rapid synthesis of highly functionalised alpha-amino amides and medium ring lactones using multicomponent reactions of amino alcohols and isocyanides. ORGANIC & BIOMOLECULAR CHEMISTRY , 10 (1) 162 - 170. 10.1039/c1ob06534c. |  |
| Banks, ST and Bramwell, ST (2012) Magnetic frustration in the context of pseudo-dipolar ionic disorder. EPL , 97 (2) , Article ARTN 27005. 10.1209/0295-5075/97/27005. |
| Baranova, E and Fronzes, R and Garcia-Pino, A and Van Gerven, N and Papapostolou, D and Péhau-Arnaudet, G and Pardon, E and Steyaert, J and Howorka, S and Remaut, H (2012) SbsB structure and lattice reconstruction unveil Ca2+ triggered S-layer assembly. Nature , 487 (7405) 119 - 122. 10.1038/nature11155. |
| Bartels-Rausch, T and Bergeron, V and Cartwright, JHE and Escribano, R and Finney, JL and Grothe, H and Gutierrez, PJ and Haapala, J and Kuhs, WF and Pettersson, JBC and Price, SD and Ignacio Sainz-Diaz, C and Stokes, DJ and Strazzulla, G and Thomson, ES and Trinks, H and Uras-Aytemiz, N (2012) Ice structures, patterns, and processes: A view across the icefields. REVIEWS OF MODERN PHYSICS , 84 (2) 885 - 944. 10.1103/RevModPhys.84.885. |
| Barua, NU and Miners, JS and Bienemann, AS and Wyatt, MJ and Welser, K and Tabor, AB and Hailes, HC and Love, S and Gill, SS (2012) Convection-enhanced delivery of neprilysin: a novel amyloid-β-degrading therapeutic strategy. J Alzheimers Dis , 32 (1) 43 - 56. 10.3233/JAD-2012-120658. |
| Battle, PD and Sviridov, LA and Woolley, RJ and Grandjean, F and Long, GJ and Catlow, CRA and Sokol, AA and Walsh, A and Woodley, SM (2012) Magnetic properties of Fe2GeMo3N; an experimental and computational study. JOURNAL OF MATERIALS CHEMISTRY , 22 (31) 15606 - 15613. 10.1039/c2jm32574h. |
| Bernabeu, MO and Nash, RW and Groen, D and Carver, HB and Hetherington, J and Krüger, T and Coveney, PV (2012) Choice of blood rheology model has minor impact on computational assessment of shear stress mediated vascular risk. CoRR , abs/1211.5292 |
| Bhachu, DS and Sankar, G and Parkin, IP (2012) Aerosol Assisted Chemical Vapor Deposition of Transparent Conductive Zinc Oxide Films. CHEMISTRY OF MATERIALS , 24 (24) 4704 - 4710. 10.1021/cm302913b. |
| bin Saiman, MI and Brett, GL and Tiruvalam, R and Forde, MM and Sharples, K and Thetford, A and Jenkins, RL and Dimitratos, N and Lopez-Sanchez, JA and Murphy, DM and Bethell, D and Willock, DJ and Taylor, SH and Knight, DW and Kiely, CJ and Hutchings, GJ (2012) Involvement of surface-bound radicals in the oxidation of toluene using supported Au-Pd nanoparticles. Angew Chem Int Ed Engl , 51 (24) 5981 - 5985. 10.1002/anie.201201059. |
| Birjkumar, KH and Bryan, ND and Kaltsoyannis, N (2012) Is gluconate a good model for isosaccharinate in uranyl(VI) chemistry? A DFT study. DALTON TRANSACTIONS , 41 (18) 5542 - 5552. 10.1039/c2dt12478e. |
| Bloor, LG and Manzi, J and Binions, R and Parkin, IP and Pugh, D and Afonja, A and Blackman, CS and Sathasivam, S and Carmalt, CJ (2012) Tantalum and Titanium doped In2O3 Thin Films by Aerosol-Assisted Chemical Vapor Deposition and their Gas Sensing Properties. CHEMISTRY OF MATERIALS , 24 (15) 2864 - 2871. 10.1021/cm300596c. |
| Boldrin, D and Wills, AS (2012) Anomalous Hall Effect in Geometrically Frustrated Magnets. ADVANCES IN CONDENSED MATTER PHYSICS , Article ARTN 615295. 10.1155/2012/615295. |
| Braun, DE and Tocher, DA and Price, SL and Griesser, UJ (2012) The Complexity of Hydration of Phloroglucinol: A Comprehensive Structural and Thermodynamic Characterization. JOURNAL OF PHYSICAL CHEMISTRY B , 116 (13) 3961 - 3972. 10.1021/jp211948q. |
| Brett, GL and Miedziak, PJ and Dimitratos, N and Lopez-Sanchez, JA and Dummer, NF and Tiruvalam, R and Kiely, CJ and Knight, DW and Taylor, SH and Morgan, DJ and Carleya, AF and Hutchings, GJ (2012) Oxidative esterification of 1,2-propanediol using gold and gold-palladium supported nanoparticles. CATALYSIS SCIENCE & TECHNOLOGY , 2 (1) 97 - 104. 10.1039/c1cy00254f. |
| Briggs, R and Daisenberger, D and Salamat, A and Garbarino, G and Mezouar, M and Wilson, M and McMillan, PF (2012) Melting of Sn to 1 Mbar. J Phys C Conf Ser , 377 012035 - ?. |
| Butler, KT and Lewis, DW (2012) Calculation of the Si-29 NMR Chemical Shifts of Aqueous Silicate Species. JOURNAL OF PHYSICAL CHEMISTRY A , 116 (34) 8786 - 8791. 10.1021/jp306119n. |
| Cabrera, RQ and Firth, S and Blackman, CS and Long, D-L and Cronin, L and McMillan, PF (2012) Spectroscopic studies of sulfite-based polyoxometalates at high temperature and high pressure. JOURNAL OF SOLID STATE CHEMISTRY , 186 171 - 176. 10.1016/j.jssc.2011.12.005. |
| Cabrera, RQ and Latimer, ER and Kafizas, A and Blackman, CS and Carmalt, CJ and Parkin, IP (2012) Photocatalytic activity of needle-like TiO2/WO3-x thin films prepared by chemical vapour deposition. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY , 239 60 - 64. 10.1016/j.jphotochem.2012.05.002. |
| Canton, I and Battaglia, G (2012) Endocytosis at the nanoscale. Chem Soc Rev , 41 (7) 2718 - 2739. 10.1039/c2cs15309b. |
| Carver, HB and Groen, D and Hetherington, J and Nash, RW and Bernabeu, MO and Coveney, PV (2012) Coalesced communication: a design pattern for complex parallel scientific software. CoRR , abs/1210.4400 |
| Carver, HB and Nash, RW and Bernabeu, MO and Hetherington, J and Groen, D and Krüger, T and Coveney, PV (2012) Choice of boundary condition and collision operator for lattice-Boltzmann simulation of moderate Reynolds number flow in complex domains. |
| Cavanagh, LM and Smith, P and Binions, R (2012) BaSnO3 Thick Film as a Carbon Dioxide Sensor. JOURNAL OF THE ELECTROCHEMICAL SOCIETY , 159 (3) J67 - J71. 10.1149/2.050203jes. |
| Chambon, P and Blanazs, A and Battaglia, G and Armes, SP (2012) Facile Synthesis of Methacrylic ABC Triblock Copolymer Vesicles by RAFT Aqueous Dispersion Polymerization. MACROMOLECULES , 45 (12) 5081 - 5090. 10.1021/ma300816m. |
| Chambon, P and Blanazs, A and Battaglia, G and Armes, SP (2012) How does cross-linking affect the stability of block copolymer vesicles in the presence of surfactant? Langmuir , 28 (2) 1196 - 1205. 10.1021/la204539c. |
| Chantry, RL and Siriwatcharapiboon, W and Horswell, SL and Logsdail, AJ and Johnston, RL and Li, ZY (2012) Overgrowth of Rhodium on Gold Nanorods. J Phys Chem C Nanomater Interfaces , 116 (18) 10312 - 10317. 10.1021/jp212432g. |
| Chen, H-YT and Di Tommaso, D and Hogarth, G and Catlow, CRA (2012) The effects of ligand variation on enantioselective hydrogenation catalysed by RuH2(diphosphine)(diamine) complexes. DALTON TRANSACTIONS , 41 (6) 1867 - 1877. 10.1039/c1dt11244a. |
| Christie, J (2012) Presidential pledges. PHYSICS WORLD , 25 (3) 25 - 25. |
| Christie, JK and Tilocca, A (2012) Integrating biological activity into radioisotope vectors: molecular dynamics models of yttrium-doped bioactive glasses. JOURNAL OF MATERIALS CHEMISTRY , 22 (24) 12023 - 12031. 10.1039/c2jm31561k. |
| Christie, JK and Tilocca, A (2012) Molecular dynamics simulations and structural descriptors of radioisotope glass vectors for in situ radiotherapy. J Phys Chem B , 116 (41) 12614 - 12620. 10.1021/jp304200f. |
| Colley, HE and Hearnden, V and Wayakanon, K and Cecchin, D and Armes, S and Battaglia, G and Murdoch, C and Thornhill, MH (2012) Tissue engineered models of oral disease for the study of a novel drug delivery system. ORAL DISEASES , 18 7 - 7. |
| Cora, F and Gomez-Hortigueela, L and Catlow, CRA (2012) Aerobic oxidation of hydrocarbons in Mn-doped aluminophosphates: a computational perspective to understand mechanism and selectivity. PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES , 468 (2143) 2053 - 2069. 10.1098/rspa.2012.0046. |
| Cormack, AN and Tilocca, A (2012) Structure and biological activity of glasses and ceramics. Philos Trans A Math Phys Eng Sci , 370 (1963) 1271 - 1280. 10.1098/rsta.2011.0371. |
| Coveney, PV and Shublaq, NW (2012) Computational biomedicine: a challenge for the twenty-first century. Stud Health Technol Inform , 174 105 - 110. |
| Coveney, PV and Swadling, JB and Wattis, JA and Greenwell, HC (2012) Theory, modelling and simulation in origins of life studies. Chem Soc Rev , 41 (16) 5430 - 5446. 10.1039/c2cs35018a. |
| Coveney, PV, and Shublaq, N (2012) Computational Biomedicine: A Challenge for the Twenty-First Century. Studies in Health Technologies and Informatics Stud Health Technol Inform , 174 105 - 110. |
| Crick, CR and Bear, JC and Kafizas, A and Parkin, IP (2012) Superhydrophobic Photocatalytic Surfaces through Direct Incorporation of Titania Nanoparticles into a Polymer Matrix by Aerosol Assisted Chemical Vapor Deposition. ADVANCED MATERIALS , 24 (26) 3505 - 3508. 10.1002/adma.201201239. |
| Cross, AJ and Dunnill, CW and Parkin, IP (2012) Production of Predominantly Anatase Thin Films on Various Grades of Steel and Other Metallic Substrates From TiCl4 and Ethyl Acetate by Atmospheric Pressure CVD. CHEMICAL VAPOR DEPOSITION , 18 (4-6) 133 - 139. 10.1002/cvde.201106964. |
| D'Abramo, M and Rabal, O and Oyarzabal, J and Gervasio, FL (2012) Conformational selection versus induced fit in kinases: the case of PI3K-γ. Angew Chem Int Ed Engl , 51 (3) 642 - 646. 10.1002/anie.201103264. |
| Daff, TD and de Leeuw, NH (2012) A density functional theory investigation of the molecular and dissociative adsorption of hydrazine on defective copper surfaces. JOURNAL OF MATERIALS CHEMISTRY , 22 (43) 23210 - 23220. 10.1039/c2jm34646j. |
| Derenne, S and Coelho, C and Anquetil, C and Szopa, C and Rahman, A and McMillan, PF and Cora, F and Pickard, C and Quirico, E (2012) New insights into the structure and chemistry of Titan's tholins via 13C and 15N solid state nuclear magnetic resonance spectroscopy. Icarus , 221 844 - 853. |
| Derenne, S and Coelho, C and Anquetil, C and Szopa, C and Rahman, AS and McMillan, PF and Cora, F and Pickard, CJ and Quirico, E and Bonhomme, C (2012) New insights into the structure and chemistry of Titan's tholins via C-13 and N-15 solid state nuclear magnetic resonance spectroscopy. ICARUS , 221 (2) 844 - 853. 10.1016/j.icarus.2012.03.003. |
| Di Tommaso, D and Hernandez, SER and Du, Z and de Leeuw, NH (2012) Density functional theory and interatomic potential study of structural, mechanical and surface properties of calcium oxalate materials. RSC ADVANCES , 2 (11) 4664 - 4674. 10.1039/c2ra00832g. |
| Dimitratos, N and Lopez-Sanchez, JA and Hutchings, GJ (2012) Slective liquid phase oxidation with supported metal nanoparticles. CHEMICAL SCIENCE , 3 (1) 20 - 44. 10.1039/c1sc00524c. |
| Dimitrov, SD and Bakulin, AA and Nielsen, CB and Schroeder, BC and Du, J and Bronstein, H and McCulloch, I and Friend, RH and Durrant, JR (2012) On the energetic dependence of charge separation in low-band-gap polymer/fullerene blends. J Am Chem Soc , 134 (44) 18189 - 18192. 10.1021/ja308177d. |
| Dispenza, C and Sabatino, MA and Chmielewska, D and LoPresti, C and Battaglia, G (2012) Inherently fluorescent polyaniline nanoparticles in a dynamic landscape. REACTIVE & FUNCTIONAL POLYMERS , 72 (3) 185 - 197. 10.1016/j.reactfunctpolym.2012.01.001. |
| Dunnill, CW and Kafizas, A and Parkin, IP (2012) CVD Production of Doped Titanium Dioxide Thin Films. CHEMICAL VAPOR DEPOSITION , 18 (4-6) 89 - 101. 10.1002/cvde.201200048. |
| Dunnill, CW and Noimark, S and Parkin, IP (2012) Silver loaded WO3-x/TiO2 composite multifunctional thin films. THIN SOLID FILMS , 520 (17) 5516 - 5520. 10.1016/j.tsf.2012.04.066. |
| Dutta, G and Sokol, AA and Catlow, CRA and Keal, TW and Sherwood, P (2012) Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons. CHEMPHYSCHEM , 13 (15) 3453 - 3456. 10.1002/cphc.201200517. |
| Edusi, C and Sankar, G and Parkin, IP (2012) The Effect of Solvent on the Phase of Titanium Dioxide Deposited by Aerosol-assisted CVD. CHEMICAL VAPOR DEPOSITION , 18 (4-6) 126 - 132. 10.1002/cvde.201106961. |
| Elahi, A and Fowowe, T and Caruana, DJ (2012) Dynamic Electrochemistry in Flame Plasma Electrolyte. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 51 (26) 6350 - 6355. 10.1002/anie.201200226. |
| Elouali, S and Bloor, LG and Binions, R and Parkin, IP and Carmalt, CJ and Darr, JA (2012) Gas Sensing with Nano-Indium Oxides (In2O3) Prepared via Continuous Hydrothermal Flow Synthesis. LANGMUIR , 28 (3) 1879 - 1885. 10.1021/la203565h. |
| Enamullah, M and Uddin, AKMR and Hogarth, G (2012) Syntheses, spectroscopy, and X-ray structures of 3-{(R)-(Ar)-ethylimino}-1,3-dihydro-indol-2-one (Ar=Ph, MeOC6H4, BrC6H4, 1-naphthyl) and [Rh(eta(4)-cod){3-((R)-(Ar)-ethylimino)-3H-indol-2-olato}]. JOURNAL OF COORDINATION CHEMISTRY , 65 (24) 4263 - 4276. 10.1080/00958972.2012.738293. |
| Enamullah, M and Uddin, AKMR and Hogarth, G and Janiak, C (2012) Synthesis, spectroscopy, catalysis and crystal structure of [Rh(eta(4)-cod){(R)-N-(Ar) ethyl-2-oxo-1-naphthaldiminato-kappa N-2,O}] (Ar = C6H5, 3-/4-MeOC6H4, and 4-BrC6H4). INORGANICA CHIMICA ACTA , 387 173 - 180. 10.1016/j.ica.2012.01.013. |
| Fairen-Jimenez, D and Galvelis, R and Torrisi, A and Gellan, AD and Wharmby, MT and Wright, PA and Mellot-Draznieks, C and Düren, T (2012) Flexibility and swing effect on the adsorption of energy-related gases on ZIF-8: combined experimental and simulation study. Dalton Trans , 41 (35) 10752 - 10762. 10.1039/c2dt30774j. |
| Fåk, B and Kermarrec, E and Messio, L and Bernu, B and Lhuillier, C and Bert, F and Mendels, P and Koteswararao, B and Bouquet, F and Ollivier, J and Hillier, AD and Amato, A and Colman, RH and Wills, AS (2012) Kapellasite: a kagome quantum spin liquid. Phys. Rev. Lett. 109, 037208 (2012) |
| Fåk, B and Kermarrec, E and Messio, L and Bernu, B and Lhuillier, C and Bert, F and Mendels, P and Koteswararao, B and Bouquet, F and Ollivier, J and Hillier, AD and Amato, A and Colman, RH and Wills, AS (2012) Kapellasite: a kagome quantum spin liquid with competing interactions. Phys Rev Lett , 109 (3) 037208 - ?. |
| Fearn, S and Rossiny, JCH and Kilner, JA and Evans, JRG (2012) Measurement of oxygen transport in La0.8Sr0.2MnO3 perovskite grains. SOLID STATE IONICS , 211 51 - 57. 10.1016/j.ssi.2012.01.029. |
| Ferracci, V and Rowley, DM (2012) The temperature dependence of the bimolecular channels of the ClO+ClO reaction over the range T=298-323 K. INTERNATIONAL JOURNAL OF CHEMICAL KINETICS , 44 (6) 386 - 397. 10.1002/kin.20573. |
| Fischer, M and Bell, RG (2012) Influence of Zeolite Topology on CO2/N-2 Separation Behavior: Force-Field Simulations Using a DFT-Derived Charge Model. JOURNAL OF PHYSICAL CHEMISTRY C , 116 (50) 26449 - 26463. 10.1021/jp3099768. |
| Fischer, M and Gomes, JRB and Froeba, M and Jorge, M (2012) Modeling Adsorption in Metal-Organic Frameworks with Open Metal Sites: Propane/Propylene Separations. LANGMUIR , 28 (22) 8537 - 8549. 10.1021/la301215y. |
| Fischer, M and Hoffmann, F and Froeba, M (2012) Metal-organic frameworks and related materials for hydrogen purification: Interplay of pore size and pore wall polarity. RSC ADVANCES , 2 (10) 4382 - 4396. 10.1039/c2ra01239a. |
| Forde, MM and Grazia, BC and Armstrong, R and Jenkins, RL and Ab Rahim, MH and Carley, AF and Dimitratos, N and Lopez-Sanchez, JA and Taylor, SH and McKeown, NB and Hutchings, GJ (2012) Methane oxidation using silica-supported N-bridged di-iron phthalocyanine catalyst. JOURNAL OF CATALYSIS , 290 177 - 185. 10.1016/j.jcat.2012.03.013. |
| Fortier, S and Brown, JL and Kaltsoyannis, N and Wu, G and Hayton, TW (2012) Synthesis, Molecular and Electronic Structure of U-V(O)[N(SiMe3)(2)](3). INORGANIC CHEMISTRY , 51 (3) 1625 - 1633. 10.1021/ic201936j. |
| Fowowe, T and Hadzifejzovic, E and Hu, J and Foord, JS and Caruana, DJ (2012) Plasma Electrochemistry: Development of a Reference Electrode Material for High Temperature Plasma. ADVANCED MATERIALS , 24 (47) 6305 - 6309. 10.1002/adma.201202411. |
| Gaitzsch, J and Appelhans, D and Wang, L and Battaglia, G and Voit, B (2012) Synthetic Bio-nanoreactor: Mechanical and Chemical Control of Polymersome Membrane Permeability. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 51 (18) 4448 - 4451. 10.1002/anie.201108814. |
| Gaitzsch, J and Canton, I and Appelhans, D and Battaglia, G and Voit, B (2012) Cellular Interactions with Photo-Cross-Linked and pH-Sensitive Polymersomes: Biocompatibility and Uptake Studies. BIOMACROMOLECULES , 13 (12) 4188 - 4195. 10.1021/bm3014704. |
| Galman, JL and Steadman, D and Haigh, LD and Hailes, HC (2012) Investigating the reaction mechanism and organocatalytic synthesis of α,α'-dihydroxy ketones. Org Biomol Chem , 10 (13) 2621 - 2628. 10.1039/c2ob06939c. |
| Galvelis, R and Slater, B and Cheetham, AK and Mellot-Draznieks, C (2012) Comparison of the relative stability of zinc and lithium-boron zeolitic imidazolate frameworks. CRYSTENGCOMM , 14 (2) 374 - 378. 10.1039/c1ce05854a. |
| Garcia-Sanchez, MF and Fernandez, N and Martinez-Sarrion, M-L and Mestres, L and Santana, G and Lewis, DW and Ruiz-Salvador, AR (2012) Chemical insertion in the perovskite solid solutions Pr0.5+x-yLi0.5-3xBiy square 2xTiO3: Implications on the electrical properties. MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS , 177 (8) 563 - 569. 10.1016/j.mseb.2012.02.025. |
| Ghosh, S and Hogarth, G and Kabir, SE and Raha, AK and Richmond, MG and Sarker, JC (2012) Backbone Modified Small Bite-Angle Diphosphines: Synthesis, Structure and Regioselective Thermal Rearrangements of Os-3(CO)(10){mu-Ph2PCH(Me)PPh2}. JOURNAL OF CLUSTER SCIENCE , 23 (3) 781 - 798. 10.1007/s10876-012-0471-1. |
| Gill, JK and Dhankher, P and Sheppard, TD and Sher, E and Millar, NS (2012) A series of α7 nicotinic acetylcholine receptor allosteric modulators with close chemical similarity but diverse pharmacological properties. Mol Pharmacol , 81 (5) 710 - 718. 10.1124/mol.111.076026. |
| Gomez-Hortigueela, L and Cora, F and Catlow, CRA (2012) Mechanism and Energetics of Secondary Oxidation Reactions in the Aerobic Oxidation of Hydrocarbons Catalyzed by Mn-Doped Nanoporous Aluminophosphates. JOURNAL OF PHYSICAL CHEMISTRY C , 116 (11) 6691 - 6702. 10.1021/jp301080f. |
| Gomez-Hortigueela, L and Perez-Pariente, J and Cora, F (2012) Chiral distributions of dopants in microporous materials: A new concept of chirality. MICROPOROUS AND MESOPOROUS MATERIALS , 155 14 - 15. 10.1016/j.micromeso.2012.01.013. |
| Grau-Crespo, R and Wang, H and Schwingenschlögl, U (2012) Why the Heyd-Scuseria-Ernzerhof hybrid functional description of VO_{2} phases is not correct. Physical Review B , 86 081101 - ?. |
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| Sarantaridis, D and Hennig, C and Caruana, DJ (2012) Bioaerosol detection using potentiometric tomography in flames. CHEMICAL SCIENCE , 3 (7) 2210 - 2216. 10.1039/c2sc20304a. |
| Sarmiento-Perez, RA and Marleny Rodriguez-Albelo, L and Gomez, A and Autie-Perez, M and Lewis, DW and Rabdel Ruiz-Salvador, A (2012) Surprising role of the BDC organic ligand in the adsorption of CO2 by MOF-5. MICROPOROUS AND MESOPOROUS MATERIALS , 163 186 - 191. 10.1016/j.micromeso.2012.07.011. |
| Sassmannshausen, J (2012) Quo Vadis, agostic bonding. DALTON TRANSACTIONS , 41 (7) 1919 - 1923. 10.1039/c1dt11213a. |
| Sathitwitayakul, T and Kuznetsov, MV and Parkin, IP and Binions, R (2012) The gas sensing properties of some complex metal oxides prepared by self-propagating high-temperature synthesis. MATERIALS LETTERS , 75 36 - 38. 10.1016/j.matlet.2012.02.003. |
| Scanlon, DO and Walsh, A (2012) Bandgap engineering of ZnSnP2 for high-efficiency solar cells. APPLIED PHYSICS LETTERS , 100 (25) , Article ARTN 251911. 10.1063/1.4730375. |
| Scanlon, DO and Watson, GW (2012) Comment on "Uncovering the Complex Behavior of Hydrogen in Cu2O" Reply. PHYSICAL REVIEW LETTERS , 108 (21) , Article ARTN 219704. 10.1103/PhysRevLett.108.219704. |
| Scanlon, DO and Watson, GW (2012) On the possibility of p-type SnO2. JOURNAL OF MATERIALS CHEMISTRY , 22 (48) 25236 - 25245. 10.1039/c2jm34352e. |
| Schlapak, R and Danzberger, J and Armitage, D and Morgan, D and Ebner, A and Hinterdorfer, P and Pollheimer, P and Gruber, HJ and Schäffler, F and Howorka, S (2012) Nanoscale DNA tetrahedra improve biomolecular recognition on patterned surfaces. Small , 8 (1) 89 - 97. 10.1002/smll.201101576. |
| Schlapak, R and Danzberger, J and Haselgrübler, T and Hinterdorfer, P and Schäffler, F and Howorka, S (2012) Painting with biomolecules at the nanoscale: biofunctionalization with tunable surface densities. Nano Lett , 12 (4) 1983 - 1989. 10.1021/nl2045414. |
| Schnaars, DD and Gaunt, AJ and Hayton, TW and Jones, MB and Kirker, I and Katsoyannis, N and May, I and Reilly, SD and Scott, BL and Wu, G (2012) Bonding Trends Traversing the Tetravalent Actinide Series: Synthesis, Structural, and Computational Analysis of An(IV)((Ar)acnac)(4) Complexes (An = Th, U, Np, Pu; (Ar)acnac = ArNC(Ph)CHC(Ph)O; Ar=3,5-(Bu2C6H3)-Bu-t). INORGANIC CHEMISTRY , 51 (15) 8557 - 8566. 10.1021/ic301109f. |
| Schroeder, BC and Bronstein, H and Ashraf, RS and Zhang, W and Huang, Z and Tuladhar, PS and Anthopoulos, TD and Durrant, JR and McCulloch, I (2012) Electronic structure tuning of new fused thieno[3,2-b]thieno bisthiophene based polymers via alkyl chain and Group IV heteroatom modulation. Proceedings of SPIE - The International Society for Optical Engineering , 8477 |
| Schwarz, AD and Nielson, AJ and Kaltsoyannis, N and Mountford, P (2012) The first group 4 metal bis(imido) and tris(imido) complexes. CHEMICAL SCIENCE , 3 (3) 819 - 824. 10.1039/c1sc00786f. |
| Sehl, T and Simon, RC and Hailes, HC and Ward, JM and Schell, U and Pohl, M and Rother, D (2012) TTC-based screening assay for ω-transaminases: a rapid method to detect reduction of 2-hydroxy ketones. J Biotechnol , 159 (3) 188 - 194. 10.1016/j.jbiotec.2011.12.023. |
| Seminovski, Y and Palacios, P and Wahnon, P and Grau-Crespo, R (2012) Band gap control via tuning of inversion degree in CdIn2S4 spinel. APPLIED PHYSICS LETTERS , 100 (10) , Article ARTN 102112. 10.1063/1.3692780. | |
| Sheppard, TD (2012) Complexity-generating hydration reactions via gold-catalyzed addition of boronic acids to alkynes. PURE AND APPLIED CHEMISTRY , 84 (11) 2431 - 2441. 10.1351/PAC-CON-12-01-08. | |
| Sheppard, TD and Snaddon, TN (2012) Highlights from the 47th EUCHEM conference on stereochemistry, Bürgenstock, Switzerland, May 2012. Chemical Communications , 48 (95) 11597 - 11600. |
| Shevlin, SA and Cazorla, C and Guo, ZX (2012) Structure and Defect Chemistry of Low- and High-Temperature Phases of LiBH4. JOURNAL OF PHYSICAL CHEMISTRY C , 116 (25) 13488 - 13496. 10.1021/jp3014805. |
| Shublaq, N and Coveney, PV (2012) Merging genomic and phenomic data for research and clinical impact. Studies in Health Technologies and Informatics Stud Health Technol Informat , 174 111 - 115. |
| Shublaq, N and Sansom, C (2012) Re-inventing Clinical Trials: Electronic Data Capture. Nature Biotech. , 30 (1) 45 - ?. 10.1038/nbt.2083. |
| Shublaq, NW and Coveney, PV (2012) Merging genomic and phenomic data for research and clinical impact. Stud Health Technol Inform , 174 111 - 115. |
| Silbert, G and Ben-Yaakov, D and Dror, Y and Perkin, S and Kampf, N and Klein, J (2012) Long-Ranged Attraction between Disordered Heterogeneous Surfaces. PHYSICAL REVIEW LETTERS , 109 (16) , Article ARTN 168305. 10.1103/PhysRevLett.109.168305. |
| Silverstein, HJ and Cruz-Kan, K and Hallas, AM and Zhou, HD and Donaberger, RL and Hernden, BC and Bieringer, M and Choi, ES and Hwang, JM and Wills, AS and Wiebe, CR (2012) Pb3TeCo3V2O14: A Potential Multiferroic Co Bearing Member of the Dugganite Series. CHEMISTRY OF MATERIALS , 24 (4) 664 - 670. 10.1021/cm202502p. |
| Skipper, CVJ and Antonelli, DM and Kaltsoyannis, N (2012) Are Metal-Metal Interactions Involved in the Rising Enthalpies Observed in The Kubas Binding of H-2 to Hydrazine-Linked Hydrogen Storage Materials? JOURNAL OF PHYSICAL CHEMISTRY C , 116 (36) 19134 - 19144. 10.1021/jp3051643. |
| Skipper, CVJ and Hamaed, A and Antonelli, DM and Kaltsoyannis, N (2012) The Kubas interaction in M(II) (M = Ti, V, Cr) hydrazine-based hydrogen storage materials: a DFT study. DALTON TRANSACTIONS , 41 (28) 8515 - 8523. 10.1039/c2dt30383c. |
| Skipper, CVJ and Hoang, TKA and Antonelli, DM and Kaltsoyannis, N (2012) Transition Metal Hydrazide-Based Hydrogen-Storage Materials: the First Atoms-In-Molecules Analysis of the Kubas Interaction. CHEMISTRY-A EUROPEAN JOURNAL , 18 (6) 1750 - 1760. 10.1002/chem.201102715. |
| Spencer, J and Patel, H and Deadman, JJ and Palmer, RA and Male, L and Coles, SJ and Uzoh, OG and Price, SL (2012) The unexpected but predictable tetrazole packing in flexible 1-benzyl-1H-tetrazole. CRYSTENGCOMM , 14 (20) 6441 - 6446. 10.1039/c2ce25940k. |
| Spesyvtsev, R and Kirkby, OM and Fielding, HH (2012) Ultrafast dynamics of aniline following 269-238 nm excitation and the role of the S-2(pi 3s/pi sigma*) state. FARADAY DISCUSSIONS , 157 165 - 179. 10.1039/c2fd20076g. |
| Spesyvtsev, R and Kirkby, OM and Vacher, M and Fielding, HH (2012) Shedding new light on the role of the Rydberg state in the photochemistry of aniline. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 14 (28) 9942 - 9947. 10.1039/c2cp41785e. |
| Stannard, A and Russell, JC and Blunt, MO and Salesiotis, C and Giménez-López, MDELC and Taleb, N and Schröder, M and Champness, NR and Garrahan, JP and Beton, PH (2012) Broken symmetry and the variation of critical properties in the phase behaviour of supramolecular rhombus tilings. Nat Chem , 4 (2) 112 - 117. 10.1038/nchem.1199. |
| Starkov, P and Rota, F and D'Oyley, JM and Sheppard, TD (2012) Catalytic Electrophilic Halogenation of Silyl-Protected and Terminal Alkynes: Trapping Gold(I) Acetylides vs. a Bronsted Acid-Promoted Reaction. ADVANCED SYNTHESIS & CATALYSIS , 354 (17) 3217 - 3224. 10.1002/adsc.201200491. |
| Stewart, JR and Ehlers, G and Wills, AS and Bramwell, ST and Gardner, JS (2012) Comment on "Magnetic structure of Gd2Ti2O7". PHYSICAL REVIEW B , 85 (10) , Article ARTN 106401. 10.1103/PhysRevB.85.106401. |
| Stoycheva, T and Vallejos, S and Blackman, C and Moniz, SJA and Calderer, J and Correig, X (2012) Important considerations for effective gas sensors based on metal oxide nanoneedles films. SENSORS AND ACTUATORS B-CHEMICAL , 161 (1) 406 - 413. 10.1016/j.snb.2011.10.052. |
| Strafford, J and Payongsri, P and Hibbert, EG and Morris, P and Batth, SS and Steadman, D and Smith, ME and Ward, JM and Hailes, HC and Dalby, PA (2012) Directed evolution to re-adapt a co-evolved network within an enzyme. J Biotechnol , 157 (1) 237 - 245. 10.1016/j.jbiotec.2011.11.017. |
| Su, R and Tiruvalam, R and He, Q and Dimitratos, N and Kesavan, L and Hammond, C and Lopez-Sanchez, JA and Bechstein, R and Kiely, CJ and Hutchings, GJ and Besenbacher, F (2012) Promotion of phenol photodecomposition over TiO2 using Au, Pd, and Au-Pd nanoparticles. ACS Nano , 6 (7) 6284 - 6292. 10.1021/nn301718v. |
| Sutto, L and Marsili, S and Gervasio, FL (2012) New advances in metadynamics. Wiley Interdisciplinary Reviews: Computational Molecular Science , 2 (5) 771 - 779. |
| Swadling, JB and Coveney, PV and Greenwell, HC (2012) Stability of free and mineral-protected nucleic acids: Implications for the RNA world. GEOCHIMICA ET COSMOCHIMICA ACTA , 83 360 - 378. 10.1016/j.gca.2011.12.023. |
| Tan, JC and Civalleri, B and Lin, CC and Valenzano, L and Galvelis, R and Chen, PF and Bennett, TD and Mellot-Draznieks, C and Zicovich-Wilson, CM and Cheetham, AK (2012) Exceptionally low shear modulus in a prototypical imidazole-based metal-organic framework. Phys Rev Lett , 108 (9) 095502 - ?. |
| Tedaldi, LM and Aliev, AE and Baker, JR (2012) [2+2] photocycloadditions of thiomaleimides. Chem Commun (Camb) , 48 (39) 4725 - 4727. 10.1039/c2cc31673k. |
| Temple, DJ and Kehoe, AB and Allen, JP and Watson, GW and Scanlon, DO (2012) Geometry, Electronic Structure, and Bonding in CuMCh(2) (M = Sb, Bi; Ch = S, Se): Alternative Solar Cell Absorber Materials? JOURNAL OF PHYSICAL CHEMISTRY C , 116 (13) 7334 - 7340. 10.1021/jp300862v. |
| Tilocca, A and Selloni, A (2012) DFT-GGA and DFT+U Simulations of Thin Water Layers on Reduced TiO2 Anatase. JOURNAL OF PHYSICAL CHEMISTRY C , 116 (16) 9114 - 9121. 10.1021/jp301624v. |
| Tiruvalam, R and He, Q and Herzing, AA and Pritchard, J and Dimitratos, N and Lopez-Sanchez, JA and Edwards, JK and Carley, AF and Hutchings, GJ and Kiely, CJ (2012) Some recent advances in gold-based catalysis facilitated by aberration corrected analytical electron microscopy. Journal of Physics: Conference Series , 371 |
| Treeby, BE and Jaros, J and Rendell, AP and Cox, BT (2012) Modeling nonlinear ultrasound propagation in heterogeneous media with power law absorption using a k-space pseudospectral method. J Acoust Soc Am , 131 (6) 4324 - 4336. 10.1121/1.4712021. |
| Uzoh, OG and Cruz-Cabeza, AJ and Price, SL (2012) Is the Fenamate Group a Polymorphophore? Contrasting the Crystal Energy Landscapes of Fenamic and Tolfenamic Acids. CRYSTAL GROWTH & DESIGN , 12 (8) 4230 - 4239. 10.1021/cg3007348. |
| Vallejos, S and Stoycheva, T and Llobet, E and Correig, X and Umek, P and Gracia, I and Blackman, C (2012) Benzene detection on nanostructured tungsten oxide MEMS based gas sensors. Proceedings of the IEEE Conference on Nanotechnology |
| Vanderlinden, W and Blunt, M and David, CC and Moucheron, C and Kirsch-De Mesmaeker, A and De Feyter, S (2012) Mesoscale DNA structural changes on binding and photoreaction with Ru[(TAP)2PHEHAT]2+. J Am Chem Soc , 134 (24) 10214 - 10221. 10.1021/ja303091q. |
| Viswanathan, P and Chirasatitsin, S and Engler, AJ and Battaglia, G (2012) Directing MSC fate in 3D through cell inert and adhesive block copolymer domains. JOURNAL OF TISSUE ENGINEERING AND REGENERATIVE MEDICINE , 6 197 - 197. |
| Viswanathan, P and Chirasatitsin, S and Ngamkham, K and Engler, AJ and Battaglia, G (2012) Cell instructive microporous scaffolds through interface engineering. J Am Chem Soc , 134 (49) 20103 - 20109. 10.1021/ja308523f. |
| Walley, P and Zhang, Y and Evans, JRG (2012) Self-assembly of montmorillonite platelets during drying. BIOINSPIRATION & BIOMIMETICS , 7 (4) , Article ARTN 046004. 10.1088/1748-3182/7/4/046004. |
| Walsh, A and Catlow, CRA and Galvelis, R and Scanlon, DO and Schiffmann, F and Sokol, AA and Woodley, SM (2012) Prediction on the existence and chemical stability of cuprous fluoride. CHEMICAL SCIENCE , 3 (8) 2565 - 2569. 10.1039/c2sc20321a. |
| Wan, S and Coveney, PV (2012) Regulation of JAK2 activation by Janus homology 2: evidence from molecular dynamics simulations. J Chem Inf Model , 52 (11) 2992 - 3000. 10.1021/ci300308g. |
| Wan, S and Wright, DW and Coveney, PV (2012) Mechanism of drug efficacy within the EGF receptor revealed by microsecond molecular dynamics simulation. Mol Cancer Ther , 11 (11) 2394 - 2400. 10.1158/1535-7163.MCT-12-0644-T. |
| Wang, L and Chierico, L and Little, D and Patikarnmonthon, N and Yang, Z and Azzouz, M and Madsen, J and Armes, SP and Battaglia, G (2012) Encapsulation of Biomacromolecules within Polymersomes by Electroporation. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 51 (44) 11122 - 11125. 10.1002/anie.201204169. |
| Ward, MD and Hogg, IA and Price, SD (2012) Thermal reactions of oxygen atoms with CS2 at low temperatures on interstellar dust. MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY , 425 (2) 1264 - 1269. 10.1111/j.1365-2966.2012.21520.x. |
| Wenzel, SE and Fischer, M and Hoffmann, F and Froeba, M (2012) A new series of isoreticular copper-based metal-organic frameworks containing non-linear linkers with different group 14 central atoms. JOURNAL OF MATERIALS CHEMISTRY , 22 (20) 10294 - 10302. 10.1039/c2jm15523k. |
| Wolthers, M and Di Tommaso, D and Du, Z and de Leeuw, NH (2012) Calcite surface structure and reactivity: molecular dynamics simulations and macroscopic surface modelling of the calcite-water interface. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 14 (43) 15145 - 15157. 10.1039/c2cp42290e. |
| Woodley, SM and Sokol, AA (2012) From ergodicity to extended phase diagrams. Angew Chem Int Ed Engl , 51 (16) 3752 - 3754. 10.1002/anie.201109030. |
| Woods, PM and Kelly, G and Viti, S and Slater, B and Brown, WA and Puletti, F and Burke, DJ and Raza, Z (2012) ON THE FORMATION OF GLYCOLALDEHYDE IN DENSE MOLECULAR CORES. ASTROPHYSICAL JOURNAL , 750 (1) , Article ARTN 19. 10.1088/0004-637X/750/1/19. |
| Woolcot, T and Teobaldi, G and Pang, CL and Beglitis, NS and Fisher, AJ and Hofer, WA and Thornton, G (2012) Scanning Tunneling Microscopy Contrast Mechanisms for TiO2. PHYSICAL REVIEW LETTERS , 109 (15) , Article ARTN 156105. 10.1103/PhysRevLett.109.156105. |
| Wright, DW and Sadiq, SK and De Fabritiis, G and Coveney, PV (2012) Thumbs Down for HIV: Domain Level Rearrangements Do Occur in the NNRTI-Bound HIV-1 Reverse Transcriptase. J Am Chem Soc 10.1021/ja301565k. |
| Wright, DW and Wan, S and Shublaq, N and Zasada, SJ and Coveney, PV (2012) From base pair to bedside: molecular simulation and the translation of genomics to personalized medicine. Wiley Interdiscip Rev Syst Biol Med , 4 (6) 585 - 598. 10.1002/wsbm.1186. |
| Wu, OY and Parkin, IP and Hyett, G (2012) A neutron diffraction study of oxygen and nitrogen ordering in a kinetically stable orthorhombic iron doped titanium oxynitride. JOURNAL OF SOLID STATE CHEMISTRY , 190 169 - 173. 10.1016/j.jssc.2012.02.034. |
| Xia, X and Oldman, RJ and Catlow, CRA (2012) Oxygen adsorption and dissociation on yttria stabilized zirconia surfaces. JOURNAL OF MATERIALS CHEMISTRY , 22 (17) 8594 - 8612. 10.1039/c2jm16604f. |
| Yang, Y and Gao, M and Liu, Y and Wang, J and Gu, J and Pan, H and Guo, Z (2012) Multi-hydride systems with enhanced hydrogen storage properties derived from Mg(BH4)(2) and LiAlH4. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , 37 (14) 10733 - 10742. 10.1016/j.ijhydene.2012.04.068. |
| Yuan, M and Okamoto, K and Bronstein, HA and Luscombe, CK (2012) Constructing regioregular star poly(3-hexylthiophene) via externally initiated Kumada catalyst-transfer polycondensation. ACS Macro Letters , 1 (3) 392 - 395. |
| Yuan, P-F and Wang, F and Sun, Q and Jia, Y and Guo, Z-X (2012) Structural, energetic and thermodynamic analyses of Ca(BH4)(2)center dot 2NH(3) from first principles calculations. JOURNAL OF SOLID STATE CHEMISTRY , 185 206 - 212. 10.1016/j.jssc.2011.11.009. |
| Zhang, Y and Evans, JRG (2012) Alignment of layered double hydroxide platelets. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS , 408 71 - 78. 10.1016/j.colsurfa.2012.05.033. |
| Zhang, Y and Evans, JRG (2012) Approaches to the manufacture of layered nanocomposites. APPLIED SURFACE SCIENCE , 258 (6) 2098 - 2102. 10.1016/j.apsusc.2011.03.151. |
| Zwijnenburg, MA (2012) Elucidating the Microscopic Origin of the Unique Optical Properties of Polypyrene. JOURNAL OF PHYSICAL CHEMISTRY C , 116 (38) 20191 - 20198. 10.1021/jp305146p. |
| Zwijnenburg, MA (2012) Photoluminescence in semiconductor nanoparticles: an atomistic view of excited state relaxation in nanosized ZnS. NANOSCALE , 4 (12) 3711 - 3717. 10.1039/c2nr30191a. |
| Zwijnenburg, MA and Illas, F and Bromley, ST (2012) Long range coupling between defect centres in inorganic nanostructures: Valence alternation pairs in nanoscale silica. JOURNAL OF CHEMICAL PHYSICS , 137 (15) , Article ARTN 154313. 10.1063/1.4758461. |
Book chapter
| Bešker, N and Gervasio, FL (2012) Using metadynamics and path collective variables to study ligand binding and induced conformational transitions. In: UNSPECIFIED (501 - 513). |
| Grau-Crespo, R and Waghmare, UV (2012) Simulation of crystals with chemical disorder at lattice sites. In: Rai, B, (ed.) Molecular Modeling for the Design of Novel Performance Chemicals and Materials. (299 - 322). CRC Press |
| McMillan, PF (2012) Solid state and materials chemistry at high pressure. In: Loveday, J, (ed.) High Pressure Physics. (245 - 264). CRC Press: Boca Raton USA. |
| McMillan, PF and Bailey, E and Leinenweber, K (2012) High temperature techniques in high pressure experiments. In: Loveday, J, (ed.) High Pressure Physics. (223 - 244). CRC Press: Boca Raton USA. |
| Tilocca, A (2012) Molecular dynamics methods for modeling complex interactions in biomaterials. In: Navarro, M and Planell, JA, (eds.) Nanotechnology in Regenerative Medicine. (285 - 301). Springer: US. |
Proceedings paper
| Al-Ajam, Y and Lancashire, H and Pendegrass, C and Kang, N and Blunn, G (2012) The Use of Skeletal Muscle to Amplify Action Potentials in Transected Peripheral Nerves. In: Plastic & Reconstructive Surgery. (pp. 44 - 44). |
| Colley, HE and Hearnden, V and Cecchin, D and Armes, S and Battaglia, G and Murdoch, C and Thornhill, MH (2012) Polymersomes - a Novel Drug Delivery System for the Delivery of Chemotherapeutic Agents to Oral Cancer Cells. In: EUROPEAN JOURNAL OF CANCER. (pp. S254 - S254). |
| Engler, A and Chirasatitsin, S and Viwanathan, P and Battaglia, G (2012) Adhesive heterogeneity within the stem cell niche promotes differentiation. In: GLYCOBIOLOGY. (pp. 1587 - 1588). |
| Kirker, I and Kaltsoyannis, N (2012) Ab Initio Molecular Dynamics Study of Plutonium (IV) Solvation. In: MRS proceedings. |
| Shiers, MJ and Leech, R and Carmalt, CJ and Parkin, IP and Kenyon, AJ (2012) Self-Assembled Ultra-High Aspect Ratio Silver Nanochains. In: ADVANCED MATERIALS. (pp. 5227 - 5235). |
| Shublaq, N and Coveney, P (2012) A ‘Digital Me’: key to implementation. In: Virtual Physiological Human 2012 Conference proceedings. | |
| Skipper, CVJ and Antonelli, DM and Kaltsoyannis, N and International, J (2012) Towards Hydrazine Based Hydrogen Storage Materials Incorporating Late Transition Metals: a DFT Study. In: WHEC 2012 CONFERENCE PROCEEDINGS - 19TH WORLD HYDROGEN ENERGY CONFERENCE. (pp. 585 - 593). |
Report
| Shublaq, N and Zakopane 2012 Consortium Grid Computing, The (2012) The Next Decade - Report and Summary. |
Thesis
| Alexander, S.J. (2012) Discovery of heterometallic layered oxides using solid-state reactions of nano-Precursors. Doctoral thesis, UCL (University College London). |
| Aslam, O (2012) Development of catalytic aza enolate reactions. Doctoral thesis, UCL (University College London). | |
| Bloor, LG (2012) On the Synthesis and Chemical Vapour Deposition of Group 13 Precursors Towards Metal Oxide Thin Films. Doctoral thesis, UCL (University College London). |  |
| Busson, MJM (2012) Towards Neocarzinostatin chromophore. Doctoral thesis, UCL (University College London). | |
| Cazares Robles, A. (2012) Biocatalytic approaches to ketodiols and aminodiols. Doctoral thesis, UCL (University College London). |
| Chen, H.-Y. (2012) Hydrogenation reactions catalysed by organometallic complexes. Doctoral thesis, UCL (University College London). | |
| Douglas, K.M. (2012) The formation, dissociation and reactivity of gaseous ions. Doctoral thesis, UCL (University College London). | |
| Ferracci, V (2012) Kinetic studies of gaseous halogen oxide radical reactions implicated in ozone depletion. Doctoral thesis, UCL (University College London). | |
| Galvelis, R (2012) Modelling of functional hybrid organic-inorganic materials: from structure to properties. Doctoral thesis, UCL (University College London). |
| Harman-Clarke, A. (2012) Topological constraints and ordering in model frustrated magnets / Contraintes topologiques et ordre dans les systèmes modèle pour le magnétisme frustré. Doctoral thesis, UCL (University College London). | |
| Hassomal Birjkumar, K (2012) Computational Studies of the Electronic Structure and Bonding in Heavy Element Compounds. Doctoral thesis, UCL (University College London). |
| Hazael, R.T. (2012) High pressure studies in solid state chemistry and biology. Doctoral thesis, UCL (University College London). |
| Ho, JKW (2012) Synthesis and Biophysical studies of Cationic Lipids as Gene Delivery Vectors. Doctoral thesis, UCL (University College London). |
| Iqbal, F (2012) The Development of Novel Photoactivatable Antagonists for the GABAA Receptor. Doctoral thesis, UCL (University College London). |
| Lobo, AJW (2012) Modelling Structure Direction and Morphology Control in Zeolite Synthesis. Doctoral thesis, UCL (University College London). | |
| Nazarudin, N (2012) Catalytic cracking of plastic waste using nanoporous materials. Doctoral thesis, UCL (University College London). |
| Noble, A (2012) Investigation into the use of 1,2-diamines in fused heterocycle synthesis. Doctoral thesis, UCL (University College London). | |
| Raza, Z (2012) Proton ordering and reactivity of ice. Doctoral thesis, UCL (University College London). |
| Rota, F (2012) Novel approaches to medium rings, enantiomerically enriched alcohols and haloalkynes. Doctoral thesis, UCL (University College London). |
| Smith, A.G.H. (2012) Structural and defect properties of strontium titanate. Doctoral thesis, UCL (University College London). | |
| Szaloki, G. (2012) Part I: Synthesis of novel purely planar chiral ferrocenes for aysymetric synthesis: Part II: Synthesis of novel azaferrocenylboronic acids. Doctoral thesis, UCL (University College London). | |
| Unwin, DG (2012) Investigations into electrocatalytic reduction of protons to hydrogen by complexes inspired by the FeFe hydrogenase enzyme active site. Doctoral thesis, UCL (University College London). | |
| Walters, G (2012) Characteristics of aerosol assisted and conventional chemical vapour deposition of metal oxide thin films on glass, with or without metal dopants. Doctoral thesis, UCL (University College London). | |
| Ward, MD (2012) Reactions of hydrogen and oxygen atoms on interstellar grain analogues. Doctoral thesis, UCL (University College London). | |
| Yim, C.M. (2012) Scanning probe and spectroscopy studies of rutile TiO2(110). Doctoral thesis, UCL (University College London). | |