UCL logo

UCL Discovery

UCL home » Library Services » Electronic resources » UCL Discovery

Browse by UCL Departments and Centres

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: Author | Type
Jump to: A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z
Number of items: 472.

A

Adams, A; Macmillan, D; (2011) Peptide Thioesters via N -> Se Acyl Transfer. In: BIOPOLYMERS. (pp. 437 - 437). WILEY-BLACKWELL

Ahern, J.M.; (2011) Radical hydroacylation of C-C and N-N double bonds in air. Doctoral thesis, UCL (University College London). Green open access
file

Ainsworth, RI; Di Tommaso, D; de Leeuw, NH; (2011) A density functional theory study of structural, mechanical and electronic properties of crystalline phosphorus pentoxide. J Chem Phys , 135 (23) 234513-. 10.1063/1.3666017.

Al-Baitai, A.Y.; (2011) Computational studies of the interaction of pollutants with iron oxide surfaces. Doctoral thesis, UCL (University College London). Green open access
file

Alhummiany, H; Jarvis, S; Woolley, RAJ; Stannard, A; Blunt, M; Moriarty, P; (2011) Dewetting of Au nanoparticle assemblies. JOURNAL OF MATERIALS CHEMISTRY , 21 (42) pp. 16983-16989. 10.1039/c1jm12182k.

Aliev, AE; Law, RV, ; (2011) Solid-state NMR spectroscopy. In: Kamienska-Trela, K, (ed.) Nuclear Magnetic Resonance. (254 - 310). RSC Publishing.: Cambridge.

Aliev, AE; Mann, SE; Iuga, D; Hughes, CE; Harris, KDM; (2011) Natural-Abundance Solid-State H-2 NMR Spectroscopy at High Magnetic Field. J PHYS CHEM A , 115 (22) 5568 - 5578. 10.1021/jp202810k.

Aliev, AE; Mann, SE; Rahman, AS; McMillan, PF; Corà, F; Iuga, D; Hughes, CE; (2011) High-resolution solid-state 2H NMR spectroscopy of polymorphs of glycine. J Phys Chem A , 115 (44) pp. 12201-12211. 10.1021/jp207592u.

Allen, JP; Scanlon, DO; Parker, SC; Watson, GW; (2011) Tin monoxide: Structural prediction from first principles calculations with van der Waals corrections. Journal of Physical Chemistry C , 115 (40) pp. 19916-19924. 10.1021/jp205148y.

Allen, JP; Scanlon, DO; Watson, GW; (2011) Comparison of the defective pyrochlore and ilmenite polymorphs of AgSbO 3 using GGA and hybrid DFT. Physical Review B - Condensed Matter and Materials Physics , 83 (3) 10.1103/PhysRevB.83.035207.

Allen, JP; Scanlon, DO; Watson, GW; (2011) Electronic structures of silver oxides. Physical Review B - Condensed Matter and Materials Physics , 84 (11) 10.1103/PhysRevB.84.115141.

Amini, N; Aguey-Zinsou, KF; Guo, ZX; (2011) Processing of strong and highly conductive carbon foams as electrode. CARBON , 49 (12) pp. 3857-3864. 10.1016/j.carbon.2011.05.022.

Anderson, JC; McCarthy, RA; Paulin, S; Taylor, PW; (2011) Anti-staphylococcal activity and beta-lactam resistance attenuating capacity of structural analogues of (-)-epicatechin gallate. BIOORG MED CHEM LETT , 21 (23) 6996 - 7000. 10.1016/j.bmcl.2011.09.116.

Anderson, JC; Stepney, GJ; Mills, MR; Horsfall, LR; Blake, AJ; Lewis, W; (2011) Enantioselective Conjugate Addition Nitro-Mannich Reactions: Solvent Controlled Synthesis of Acyclic anti- and syn-beta-Nitroamines with Three Contiguous Stereocenters. J ORG CHEM , 76 (7) 1961 - 1971. 10.1021/jo102408u.

Arendorf, J.R.T.; (2011) A study of some non-covalent functional group π interactions. Doctoral thesis, UCL (University College London). Green open access
file

Arlin, JB; Price, LS; Price, SL; Florence, AJ; (2011) A strategy for producing predicted polymorphs: catemeric carbamazepine form V. Chemical Communications , 47 (25) 7074 - 7076. 10.1039/c1cc11634g. Green open access
file

Arrowsmith, M; Crimmin, MR; Barrett, AGM; Hill, MS; Kociok-Kohn, G; Procopiou, PA; (2011) Cation Charge Density and Precatalyst Selection in Group 2-Catalyzed Aminoalkene Hydroamination. ORGANOMETALLICS , 30 (6) 1493 - 1506. 10.1021/om101063m.

Ascenzi, D; Aysina, J; Zins, EL; Schroder, D; Zabka, J; Alcaraz, C; Price, SD; (2011) Double ionization of cycloheptatriene and the reactions of the resulting C7Hn2+ dications (n=6, 8) with xenon. PHYS CHEM CHEM PHYS , 13 (41) 18330 - 18338. 10.1039/c1cp21634a.

Ashraf, RS; Chen, Z; Leem, DS; Bronstein, H; Zhang, W; Schroeder, B; Geerts, Y; (2011) Silaindacenodithiophene semiconducting polymers for efficient solar cells and high-mobility ambipolar transistors. Chemistry of Materials , 23 (3) pp. 768-770. 10.1021/cm1029744.

B

Bailey, E; Ray, NMT; Hector, AL; Crozier, P; Petuskey, WT; McMillan, PF; (2011) Mechanical Properties of Titanium Nitride Nanocomposites Produced by Chemical Precursor Synthesis Followed by High-P,T Treatment. MATERIALS , 4 (10) pp. 1747-1762. 10.3390/ma4101747. Gold open access

Baker, JR; Caddick, S; Smith, MEB; (2011) Functionalisation of solid substrates.

Baker, JR; Caddick, S; Smith, MEB; (2011) Reversible covalent linkage of functional moieties.

Baker, JR; Caddick, S; Smith, MEB; (2011) Thiol protecting group.

Bardwell, DA; Adjiman, CS; Arnautova, YA; Bartashevich, E; Boerrigter, SXM; Braun, DE; Cruz-Cabeza, AJ; (2011) Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test. Acta Crystallographica Section B Structural Science , 67 (6) 535 - 551. 10.1107/S0108768111042868. Green open access
file

Battaglia, G; LoPresti, C; Massignani, M; Warren, NJ; Madsen, J; Forster, S; Vasilev, C; (2011) Wet nanoscale imaging and testing of polymersomes. Small , 7 (14) pp. 2010-2015. 10.1002/smll.201100511.

Beale, AM; O'Brien, MG; Kasunic, M; Golobic, A; Sanchez-Sanchez, M; Lobo, AJW; Lewis, DW; (2011) Probing ZnAPO-34 Self-Assembly Using Simultaneous Multiple in Situ Techniques. J PHYS CHEM C , 115 (14) 6331 - 6340. 10.1021/jp200043b.

Benny, PD; Fugate, GA; Ganguly, T; Twamley, B; Bučar, DK; MacGillivray, LR; (2011) Unusual reactivity of acetylacetone with imidazole/histamine complexes and fac-M (OH2)3(CO)3+ (M = Re, 99mTc). Inorganica Chimica Acta , 365 (1) pp. 356-362. 10.1016/j.ica.2010.09.050.

Berna, AZ; Vergara, A; Trincavelli, M; Huerta, R; Afonja, A; Parkin, IP; Binions, R; (2011) Evaluating Zeolite-Modified Sensors: towards a faster set of chemical sensors. In: Gouma, P, (ed.) OLFACTION AND ELECTRONIC NOSE: PROCEEDINGS OF THE 14TH INTERNATIONAL SYMPOSIUM ON OLFACTION AND ELECTRONIC NOSE. (pp. 50 - 52). AMER INST PHYSICS

Bhachu, DS; Waugh, MR; Zeissler, K; Branford, WR; Parkin, IP; (2011) Textured fluorine-doped tin dioxide films formed by chemical vapour deposition. Chemistry , 17 (41) pp. 11613-11621. 10.1002/chem.201100399.

Biferale, L; Coveney, PV; Ubertini, S; Succi, S; (2011) Discrete simulation of fluid dynamics: applications PREFACE. PHILOS T R SOC A , 369 (1945) 2384 - 2386. 10.1098/rsta.2011.0102.

Biferale, L; Coveney, PV; Ubertini, S; Succi, S; (2011) Discrete simulation of fluid dynamics: methods PREFACE. PHILOS T R SOC A , 369 (1944) 2152 - 2154. 10.1098/rsta.2011.0101.

Binions, R; (2011) Cead Mile Failte. CHEMICAL VAPOR DEPOSITION , 17 (10-12) pp. 279-283. 10.1002/cvde.201100102.

Binions, R; (2011) In Focus: Photocatalysis. J CHEM TECHNOL BIOT , 86 (8) 1001 - 1001. 10.1002/jctb.2693.

Birjkumar, KH; Bryan, ND; Kaltsoyannis, N; (2011) Computational investigation of the speciation of uranyl gluconate complexes in aqueous solution. DALTON T , 40 (42) 11248 - 11257. 10.1039/c1dt11086a.

Bisson, W.G.; (2011) Crystal structures and magnetism in jarosites: model kagome antiferromagnets. Doctoral thesis, UCL (University College London). Green open access
filefile

Blake, MP; Kaltsoyannis, N; Mountford, P; (2011) Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)(2)}(2)(THF)(3)](2) (M = Ca or Yb). J AM CHEM SOC , 133 (39) 15358 - 15361. 10.1021/ja207487j.

Blanazs, A; Madsen, J; Battaglia, G; Ryan, AJ; Armes, SP; (2011) Mechanistic insights for block copolymer morphologies: how do worms form vesicles? J Am Chem Soc , 133 (41) pp. 16581-16587. 10.1021/ja206301a.

Bloor, LG; Carmalt, CJ; Pugh, D; (2011) Single-source precursors to gallium and indium oxide thin films. COORDIN CHEM REV , 255 (11-12) 1293 - 1318. 10.1016/j.ccr.2010.12.018.

Blunt, MO; Russell, JC; Gimenez-Lopez, MDELC; Taleb, N; Lin, X; Schröder, M; Champness, NR; (2011) Guest-induced growth of a surface-based supramolecular bilayer. Nat Chem , 3 (1) pp. 74-78. 10.1038/nchem.901.

Boghosian, BM; Brown, A; Latt, J; Tang, H; Fazendeiro, LM; Coveney, PV; (2011) Unstable periodic orbits in the Lorenz attractor. In: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. (pp. 2345 - 2353). ROYAL SOC

Boghosian, BM; Fazendeiro, LM; Latt, J; Tang, H; Coveney, PV; (2011) New variational principles for locating periodic orbits of differential equations. In: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. (pp. 2211 - 2218). ROYAL SOC

Bou-Moreno, R; Luengo-Arratta, S; Motherwell, WB; (2011) Observations on the reaction of nitronate anions with oxalyl chloride: a new method for the preparation of geminal chloronitroso compounds. TETRAHEDRON LETT , 52 (17) 2097 - 2099. 10.1016/j.tetlet.2010.11.031.

Boubeva, R; Cristiani, A; Pernot, L; Perozzo, R; Sutto, L; Scapozza, L; Gervasio, FL; (2011) Understanding the plasticity of c-Src tyrosine kinase through very long molecular dynamics simulations and experimentally validated free energy calculations. European Biophysics Journal with Biophysics Letters , 40 207 - 208.

Braun, DE; Ardid-Candel, M; D'Oria, E; Karamertzanis, PG; Arlin, J-B; Florence, AJ; Jones, AG; (2011) Racemic Naproxen: A Multidisciplinary Structural and Thermodynamic Comparison with the Enantiopure Form. CRYSTAL GROWTH & DESIGN , 11 (12) pp. 5659-5669. 10.1021/cg201203u.

Braun, DE; Karamertzanis, PG; Arlin, JB; Florence, AJ; Kahlenberg, V; Tocher, DA; Griesser, UJ; (2011) Solid-State Forms of beta-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be? CRYST GROWTH DES , 11 (1) 210 - 220. 10.1021/cg101162a.

Braun, DE; Karamertzanis, PG; Price, SL; (2011) Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids. CHEM COMMUN , 47 (19) 5443 - 5445. 10.1039/c1cc10762c.

Brazdova, V; Bowler, DR; (2011) H atom adsorption and diffusion on Si(110)-(1x1) and (2x1) surfaces. PHYS CHEM CHEM PHYS , 13 (23) 11367 - 11372. 10.1039/c1cp20108e.

Brett, GL; He, Q; Hammond, C; Miedziak, PJ; Dimitratos, N; Sankar, M; Herzing, AA; (2011) Selective Oxidation of Glycerol by Highly Active Bimetallic Catalysts at Ambient Temperature under Base-Free Conditions. ANGEW CHEM INT EDIT , 50 (43) 10136 - 10139. 10.1002/anie.201101772.

Bronstein, H; Ashraf, RS; Kim, Y; White, AJ; Anthopoulos, T; Song, K; James, D; (2011) Synthesis of a novel fused thiophene-thieno[3,2-b]thiophene-thiophene donor monomer and co-polymer for use in OPV and OFETs. Macromol Rapid Commun , 32 (20) pp. 1664-1668. 10.1002/marc.201100417.

Bronstein, H; Chen, Z; Ashraf, RS; Zhang, W; Du, J; Durrant, JR; Tuladhar, PS; (2011) Thieno[3,2-b]thiophene-diketopyrrolopyrrole-containing polymers for high-performance organic field-effect transistors and organic photovoltaic devices. J Am Chem Soc , 133 (10) pp. 3272-3275. 10.1021/ja110619k.

Bronstein, H; Leem, DS; Hamilton, R; Woebkenberg, P; King, S; Zhang, W; Ashraf, RS; (2011) Indacenodithiophene-co-benzothiadiazole copolymers for high performance solar cells or transistors via alkyl chain optimization. Macromolecules , 44 (17) pp. 6649-6652. 10.1021/ma201158d.

Brukhno, AV; Anwar, J; Malkin, T; Murray, B; Salzmann, CG; (2011) Homogeneous ice formation from supercooled water: Insights from simulations and experiments. Presented at: UNSPECIFIED.

Buckeridge, J; Fahy, S; (2011) Mobility in gated GaN As heterostructures as a probe of nitrogen-related electronic states. Physical Review B , 84 (14) 10.1103/PhysRevB.84.144120.

Burbano, M; Scanlon, DO; Watson, GW; (2011) Sources of conductivity and doping limits in CdO from hybrid density functional theory. J Am Chem Soc , 133 (38) pp. 15065-15072. 10.1021/ja204639y.

Butorac, J.; (2011) Femtosecond laser studies of CO and NO on Pd(111). Doctoral thesis, UCL (University College London). Green open access
file

C

CADDICK, S; SMITH, M; BAKER, J; (2011) Functionalisation of solid substrates. WO/2011/018613.

CADDICK, S; SMITH, M; BAKER, J; (2011) Reversible covalent linkage of functional molecules. WO/2011/018611.

CADDICK, S; SMITH, M; BAKER, J; (2011) Thiol protecting group. WO/2011/018612.

Cabrera, RQ; Sella, A; Bailey, E; Leynaud, O; McMillan, PF; (2011) High-pressure synthesis and structural behavior of sodium orthonitrate Na3NO4. J SOLID STATE CHEM , 184 (4) 915 - 920. 10.1016/j.jssc.2011.02.013.

Campbell, F; Welser, K; Mohammadi, A; Kudsiova, L; Lawrence, MJ; Tabor, AB; Hailes, HC; (2011) Non-viral, coated nanoparticles as vectors for gene therapy. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.

Campbell, R; Cannon, D; Garcia-Alvarez, P; Kennedy, AR; Mulvey, RE; Robertson, SD; Sassmannshausen, J; (2011) Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects. J AM CHEM SOC , 133 (34) 13706 - 13717. 10.1021/ja205547h.

Campos-Olivas, R; Marenchino, M; Gervasio, FL; Scapozza, L; (2011) Backbone assignment of the tyrosine kinase Src catalytic domain in complex with imatinib. Biomolecular NMR Assignments 1 - 4. 10.1007/s12104-011-9304-7.

Campos-Olivas, R; Marenchino, M; Scapozza, L; Gervasio, FL; (2011) Backbone assignment of the tyrosine kinase Src catalytic domain in complex with imatinib. Biomol NMR Assign , 5 (2) pp. 221-224. 10.1007/s12104-011-9304-7.

Cao, EH; Sankar, M; Firth, S; Lam, KF; Bethell, D; Knight, DK; Hutchings, GJ; (2011) Reaction and Raman spectroscopic studies of alcohol oxidation on gold-palladium catalysts in microstructured reactors. CHEM ENG J , 167 (2-3) 734 - 743. 10.1016/j.cej.2010.08.082.

Caruana, DJ; (2011) Detection and analysis of airborne particles of biological origin: present and future. ANALYST , 136 (22) 4641 - 4652. 10.1039/c1an15506g.

Catlow, CR; Sokol, AA; Walsh, A; (2011) Microscopic origins of electron and hole stability in ZnO. Chem Commun (Camb) , 47 (12) pp. 3386-3388. 10.1039/c1cc10314h.

Catlow, CRA; Sokol, AA; Walsh, A; (2011) Microscopic origins of electron and hole stability in ZnO. CHEM COMMUN , 47 (12) 3386 - 3388. 10.1039/c1cc10314h.

Cavanagh, LM; Binions, R; IEEE, ; (2011) Ba-x WOy Thick Film as a Carbon Dioxide Sensor. Presented at: UNSPECIFIED.

Cavanagh, LM; Smith, P; Binions, R; (2011) BaSnO3 Thick Film As A Carbon Dioxide Sensor. In: SENSORS, ACTUATORS, AND MICROSYSTEMS (GENERAL) - 219TH ECS MEETING. (pp. 103 - 112).

Cazorla, C; Shevin, SA; Guo, ZX; (2011) Calcium-Based Functionalization of Carbon Materials for CO2 Capture: A First-Principles Computational Study. J PHYS CHEM C , 115 (22) 10990 - 10995. 10.1021/jp201786h.

Chan, X-H; Robert Jennings, J; Anower Hossain, M; Koh Zhen Yu, K; Wang, Q; (2011) Characteristics of p-NiO Thin Films Prepared by Spray Pyrolysis and Their Application in CdS-sensitized Photocathodes. Journal of The Electrochemical Society , 158 (7) H733-H733. 10.1149/1.3590742.

Chang, DCW; Zasada, SJ; Coveney, PV; (2011) The Application Hosting Environment 3.0: Simplifying Biomedical Simulations Using RESTful Web Services. In: 2012 25TH INTERNATIONAL SYMPOSIUM ON COMPUTER-BASED MEDICAL SYSTEMS (CBMS).

Chaudhry, AA; Yan, HX; Gong, KN; Inam, F; Viola, G; Reece, MJ; Goodall, JBM; (2011) High-strength nanograined and translucent hydroxyapatite monoliths via continuous hydrothermal synthesis and optimized spark plasma sintering. ACTA BIOMATER , 7 (2) 791 - 799. 10.1016/j.actbio.2010.09.029.

Chaudhuri, A; Battaglia, G; Golestanian, R; (2011) The effect of interactions on the cellular uptake of nanoparticles. Phys Biol , 8 (4) 046002-. 10.1088/1478-3975/8/4/046002.

Chen, BQ; Evans, JRG; (2011) Mechanical Properties of Polymer-Blend Nanocomposites with Organoclays: Polystyrene/ABS and High Impact Polystyrene/ABS. J POLYM SCI POL PHYS , 49 (6) 443 - 454. 10.1002/polb.22202.

Chen, H-YT; Di Tommaso, D; Hogarth, G; Catlow, CRA; (2011) Correlating Enantioselectivity with Activation Energies in the Asymmetric Hydrogenation of Acetophenone Catalysed by Noyori-Type Complexes. CATALYSIS LETTERS , 141 (12) pp. 1761-1766. 10.1007/s10562-011-0704-1.

Chen, HYT; Di Tommaso, D; Hogarth, G; Catlow, CRA; (2011) trans-Fe-II(H)(2)(diphosphine)(diamine) complexes as alternative catalysts for the asymmetric hydrogenation of ketones? A DFT study. DALTON T , 40 (2) 402 - 412. 10.1039/c0dt00820f.

Chen, M; Ma, CY; Mahmud, T; Darr, JA; Wang, XZ; (2011) Modelling and simulation of continuous hydrothermal flow synthesis process for nano-materials manufacture. JOURNAL OF SUPERCRITICAL FLUIDS , 59 pp. 131-139. 10.1016/j.supflu.2011.07.002.

Chen, SY; Walsh, A; Yang, JH; Gong, XG; Sun, L; Yang, PX; Chu, JH; (2011) Compositional dependence of structural and electronic properties of Cu2ZnSn(S,Se)(4) alloys for thin film solar cells. PHYS REV B , 83 (12) , Article 125201. 10.1103/PhysRevB.83.125201.

Chen, Y; Evans, JRG; Yang, S; (2011) A Rapid-Doping Method for High-Throughput Discovery Applied to Thick-Film PTCR Materials. JOURNAL OF THE AMERICAN CERAMIC SOCIETY , 94 (11) pp. 3748-3756. 10.1111/j.1551-2916.2011.04667.x.

Christie, JK; Malik, J; Tilocca, A; (2011) Bioactive glasses as potential radioisotope vectors for in situ cancer therapy: investigating the structural effects of yttrium. PHYS CHEM CHEM PHYS , 13 (39) 17749 - 17755. 10.1039/c1cp21764j.

Christie, JK; Pedone, A; Menziani, MC; Tilocca, A; (2011) Fluorine Environment in Bioactive Glasses: ab Initio Molecular Dynamics Simulations. J PHYS CHEM B , 115 (9) 2038 - 2045. 10.1021/jp110788h.

Chudasama, V; Ahern, JM; Dhokia, DV; Fitzmaurice, RJ; Caddick, S; (2011) Functionalisation of aldehydes via aerobic hydroacylation of azodicarboxylates 'on' water. CHEM COMMUN , 47 (11) 3269 - 3271. 10.1039/c0cc04520a.

Chudasama, V; Ahern, JM; Fitzmaurice, RJ; Caddick, S; (2011) Synthesis of gamma-ketophosphonates via aerobic hydroacylation of vinyl phosphoniates. TETRAHEDRON LETT , 52 (10) 1067 - 1069. 10.1016/j.tetlet.2010.12.083.

Chudasama, V; Smith, MEB; Schumacher, FF; Papaioannou, D; Waksman, G; Baker, JR; Caddick, S; (2011) Bromopyridazinedione-mediated protein and peptide bioconjugation. Chemical Communications , 47 (31) 8781 - 8783. 10.1039/c1cc12807h. Green open access
file

Chudasama, V.; (2011) The use of aerobic aldehyde C-H activation for the construction of C-C and C-N bonds. Doctoral thesis, UCL (University College London). Green open access
file

Clark, JH; Dyer, MS; Palgrave, RG; Ireland, CP; Darwent, JR; Claridge, JB; Rosseinsky, MJ; (2011) Visible Light Photo-oxidation of Model Pollutants Using CaCu(3)Ti(4)O(12): An Experimental and Theoretical Study of Optical Properties, Electronic Structure, and Selectivity. Journal of the American Chemical Society , 133 pp. 1016-1032. 10.1021/ja1090832.

Clarke, TM; Rodovsky, DB; Herzing, AA; Peet, J; Dennler, G; DeLongchamp, D; Lungenschmied, C; (2011) Significantly Reduced Bimolecular Recombination in a Novel Silole-Based Polymer: Fullerene Blend. ADVANCED ENERGY MATERIALS , 1 (6) pp. 1062-1067. 10.1002/aenm.201100390.

Colman, R.H.; (2011) Experimental investigations of S=1/2 kagome magnets: the search for quantum spin liquids. Doctoral thesis, UCL (University College London). Green open access
file

Colman, RH; Bert, F; Boldrin, D; Hillier, AD; Manuel, P; Mendels, P; Wills, AS; (2011) Spin dynamics in the S=1/2 quantum kagome compound vesignieite, Cu3Ba(VO5H)(2). PHYS REV B , 83 (18) , Article 180416. 10.1103/PhysRevB.83.180416.

Colman, RH; Sinclair, A; Wills, AS; (2011) Magnetic and Crystallographic Studies of Mg-Herbertsmithite, gamma-Cu3Mg(OH)(6)Cl-2-A New S=1/2 Kagome Magnet and Candidate Spin Liquid. CHEM MATER , 23 (7) 1811 - 1817. 10.1021/cm103160q.

Cooper, AI; Day, GM; Jones, JTA; Wu, X; Hasell, T; Bacsa, J; Jelfs, KE; (2011) Modular and predictable assembly of porous organic molecular crystals. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY , 242

Coveney, PV; Diaz, V; Hunter, P; Kohl, P; Viceconti, M; (2011) The Virtual Physiological Human. INTERFACE FOCUS , 1 (3) pp. 281-285. 10.1098/rsfs.2011.0020.

Crane, J; Warwick, M; Smith, R; Furlan, N; Binions, R; (2011) The Application of Electric Fields to Aerosol Assisted Chemical Vapor Deposition Reactions. J ELECTROCHEM SOC , 158 (2) D62 - D67. 10.1149/1.3519870.

Crick, C.R.; (2011) The chemistry and CVD of hydrophobic surfaces. Doctoral thesis, UCL (University College London). Green open access
file

Crick, CR; Clausen-Thue, V; Parkin, IP; (2011) Aerosol Assisted Depositions of Polymers Using an Atomiser Delivery System. In: JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY. (pp. 8358 - 8362). AMER SCIENTIFIC PUBLISHERS

Crick, CR; Ismail, S; Pratten, J; Parkin, IP; (2011) An investigation into bacterial attachment to an elastomeric superhydrophobic surface prepared via aerosol assisted deposition. THIN SOLID FILMS , 519 (11) 3722 - 3727. 10.1016/j.tsf.2011.01.282.

Crick, CR; Parkin, IP; (2011) Aerosol assisted deposition of melamine-formaldehyde resin: Hydrophobic thin films from a hydrophilic material. THIN SOLID FILMS , 519 (7) 2181 - 2186. 10.1016/j.tsf.2010.10.062.

Crick, CR; Parkin, IP; (2011) CVD of copper and copper oxide thin films via the in situ reduction of copper (II) nitrate-a route to conformal superhydrophobic coatings. J MATER CHEM , 21 (38) 14712 - 14716. 10.1039/c1jm11955a.

Crick, CR; Parkin, IP; (2011) Superhydrophobic silica films on glass formed by hydrolysis of an acidic aerosol of tetraethylorthosilicate. J MATER CHEM , 21 (25) 9362 - 9366. 10.1039/c1jm10825e.

Crimmin, MR; Bergman, RG; Toste, FD; (2011) Synthesis of [RuCl2(NO)(2)(THF)] and its Double C-N Bond-Forming Reactions with Alkenes. ANGEW CHEM INT EDIT , 50 (19) 4484 - 4487. 10.1002/anie.201100816.

Crimmin, MR; Colby, DA; Ellman, JA; Bergman, RG; (2011) Synthesis and coordination chemistry of tri-substituted benzamidrazones. DALTON T , 40 (2) 514 - 522. 10.1039/c0dt01267j.

Curto, AG; Volpe, G; Taminiau, TH; Kreuzer, M; Quidant, R; van Hulst, NF; IEEE, ; (2011) Unidirectional emission of a quantum dot coupled to an optical nanoantenna. Presented at: UNSPECIFIED.

D

Daff, TD; de Leeuw, NH; (2011) Ab Initio Molecular Dynamics Simulations of the Cooperative Adsorption of Hydrazine and Water on Copper Surfaces: Implications for Shape Control of Nanoparticles. CHEM MATER , 23 (11) pp. 2718-2728. 10.1021/cm103164w.

Daisenberger, D; Deschamps, T; Champagnon, B; Mezouar, M; Quesada Cabrera, R; Wilson, M; McMillan, PF; (2011) Polyamorphic amorphous silicon at high pressure: raman and spatially resolved X-ray scattering and molecular dynamics studies. J Phys Chem B , 115 (48) pp. 14246-14255. 10.1021/jp205090s.

Daisenberger, D; MCMILLAN, P; Wilson, M; (2011) Crystal-liquid interfaces and phase relations in silicon at positive and negative pressure. Phys Rev B , 82 p. 214101. 10.1103/PhysRevB.82.214101.

Daisenberger, D.; (2011) Transformations among metastable amorphous and crystalline forms of silicon. Doctoral thesis, UCL (University College London).

Das, J; Eun, C; Perkin, S; Berkowitz, ML; (2011) Restructuring of Hydrophobic Surfaces Created by Surfactant Adsorption to Mica Surfaces. LANGMUIR , 27 (19) 11737 - 11741. 10.1021/la202157q.

De Vivo, M; Bottegoni, G; Berteotti, A; Recanatini, M; Gervasio, FL; Cavalli, A; (2011) Cyclin-dependent kinases: bridging their structure and function through computations. Future Med Chem , 3 (12) pp. 1551-1559. 10.4155/fmc.11.113.

Deyko, A; Lovelock, KRJ; Licence, P; Jones, RG; (2011) The vapour of imidazolium-based ionic liquids: a mass spectrometry study. PHYS CHEM CHEM PHYS , 13 (37) 16841 - 16850. 10.1039/c1cp21821b.

Coveney, P and Diaz, V and Hunter, PJ and Viceconti, M and Kohl, P (Eds). (2011) The Virtual Physiological Human. [Whole issue]. Interface Focus , 1 (3).

Dispenza, C; Ricca, M; LoPresti, C; Battaglia, G; La Valle, M; Giacomazza, D; Bulone, D; (2011) E-beam irradiation and UV photocrosslinking of microemulsion-laden poly(N-vinyl-2-pyrrolidone) hydrogels for "in situ" encapsulation of volatile hydrophobic compounds. POLYMER CHEMISTRY , 2 (1) pp. 192-202. 10.1039/c0py00161a.

Doctors, G.M.; (2011) Towards patient-speci�fic modelling of cerebral blood flow using lattice-Boltzmann methods. Doctoral thesis, UCL (University College London). Green open access
file

Donnard, M; Tschamber, T; Le Nouen, D; Desrat, S; Hinsinger, K; Eustache, J; (2011) Ring-rearrangement metathesis of substituted dihydropyrans and dihydrofurans. TETRAHEDRON , 67 (2) 339 - 357. 10.1016/j.tet.2010.11.036.

Douglas, KM; Price, SD; (2011) Electron ionization of hydrogen sulfide. INT J MASS SPECTROM , 303 (2-3) 147 - 153. 10.1016/j.ijms.2011.01.023.

Du, WN; Marino, KA; Bolhuis, PG; (2011) Multiple state transition interface sampling of alanine dipeptide in explicit solvent. J Chem Phys , 135 (14) 145102-. 10.1063/1.3644344.

Duchackova, L; Jasik, J; Zabka, J; Ascenzi, D; Zins, EL; Schroder, D; Price, SD; (2011) Energetics and rearrangements of the isomeric picoline dications. INT J MASS SPECTROM , 308 (1) 81 - 88. 10.1016/j.ijms.2011.07.027.

Dungey, S.J.; (2011) Modelling of gas transport in porous zeolite-modified discriminating gas sensors. Doctoral thesis, UCL (University College London). Green open access
file

Dunnill, CW; Ansari, Z; Kafizas, A; Perni, S; Morgan, DJ; Wilson, M; Parkin, IP; (2011) Visible light photocatalysts-N-doped TiO2 by sol-gel, enhanced with surface bound silver nanoparticle islands. J MATER CHEM , 21 (32) 11854 - 11861. 10.1039/c1jm11557j.

Dunnill, CW; Page, K; Aiken, ZA; Noimark, S; Hyett, G; Kafizas, A; Pratten, J; (2011) Nanoparticulate silver coated-titania thin films-Photo-oxidative destruction of stearic acid under different light sources and antimicrobial effects under hospital lighting conditions. J PHOTOCH PHOTOBIO A , 220 (2-3) 113 - 123. 10.1016/j.jphotochem.2011.04.001.

Dunnill, CW; Parkin, IP; (2011) Nitrogen-doped TiO2 thin films: photocatalytic applications for healthcare environments. DALTON T , 40 (8) 1635 - 1640. 10.1039/c0dt00494d.

Dutta, S; Bučar, DK; MacGillivray, LR; (2011) Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns. Organic Letters , 13 (9) pp. 2260-2262. 10.1021/ol200532t.

E

Edetanlen-Elliot, O.; (2011) Vinyl sulfonates: a platform for novel substrates of biological importance. Doctoral thesis, UCL (University College London). Green open access
file

Edusi, C; Hyett, G; Sankar, G; Parkin, IP; (2011) Aerosol-Assisted CVD of Titanium Dioxide Thin Films from Methanolic Solutions of Titanium Tetraisopropoxide; Substrate and Aerosol-Selective Deposition of Rutile or Anatase. CHEM VAPOR DEPOS , 17 (1-3) 30 - 36. 10.1002/cvde.201006872.

Edwards, A; Hogarth, G; Hollingsworth, N; Oller, JJ; (2011) Illusive tungsten-imido-dithiocarbamate complexes: Facile carbon-nitrogen bond formation. INORGANIC CHEMISTRY COMMUNICATIONS , 14 (12) pp. 1932-1936. 10.1016/j.inoche.2011.09.014.

Ejigu, A; Lovelock, KRJ; Licence, P; Walsh, DA; (2011) Iodide/triiodide electrochemistry in ionic liquids: Effect of viscosity on mass transport, voltammetry and scanning electrochemical microscopy. In: (pp. pp. 10313-10320).

Ellwood, A.R.; (2011) A synthetic approach to the sarain core and development of new thioamide-based methodologies. Doctoral thesis, UCL (University College London). Green open access
file

Ellwood, AR; Porter, MJ; (2011) A direct and efficient preparation of 1-phenyltetrazol-5-yl sulfides from alcohols. ORG BIOMOL CHEM , 9 (2) 379 - 381. 10.1039/c0ob00863j.

Evans, JRG; Zhang, Y; (2011) Ordered nanocomposites: materials for the postoleum generations. In: (Proceedings) Fabrication, Functionalization and Characterization of Nanofillers intended for Polypropylene Nanocomposites.

F

Fazendeiro, L.A.M.; (2011) Unstable periodic orbits in turbulent hydrodynamics. Doctoral thesis, UCL (University College London). Green open access
file

Fenner, L.A.; (2011) Magnetic frustration in insulators and conductors. Doctoral thesis, UCL (University College London).

Ferracci, V; Hino, K; Rowley, DM; (2011) Kinetic studies on the temperature dependence of the BrO plus BrO reaction using laser flash photolysis. PHYS CHEM CHEM PHYS , 13 (17) pp. 7997-8007. 10.1039/c0cp02847a.

Fletcher, S; Varley, TS; (2011) Beyond the Butler–Volmer equation. Curved Tafel slopes from steady-state current–voltage curves. Physical Chemistry Chemical Physics , 13 (12) p. 5359. 10.1039/c0cp02471f.

Flores-Merino, MV; Reilly, GC; Battaglia, G; (2011) Synthesis of interpenetrating polymer networks scaffolds of poly (vinyl pyrrolidone) and poly (acrylic acid). European Cells and Materials , 22 (SUPPL.) 45-. Gold open access

Forde, MM; Bezzu, CG; Jenkins, RL; Ab Rahim, MH; Carley, AF; Dimitratos, N; Lopez-Sanchez, JA; (2011) Supported iron catalysts for selective lower alkane oxidation with H2O2: Bio-mimetic approach or nanoparticle based catalysis? Presented at: UNSPECIFIED.

Fortier, S; Kaltsoyannis, N; Wu, G; Hayton, TW; (2011) Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex. J AM CHEM SOC , 133 (36) 14224 - 14227. 10.1021/ja206083p.

Fowowe, T.; (2011) Development of a 3-electrode system for gas phase dynamic electrochemistry. Doctoral thesis, UCL (University College London). Green open access
file

Frahm, D; Fischer, M; Hoffmann, F; Fröba, M; (2011) An interpenetrated metal-organic framework and its gas storage behavior: simulation and experiment. Inorg Chem , 50 (21) pp. 11055-11063. 10.1021/ic201596x.

G

Gaitzsch, J; Appelhans, D; Gräfe, D; Schwille, P; Voit, B; (2011) Photo-crosslinked and pH sensitive polymersomes for triggering the loading and release of cargo. Chem Commun (Camb) , 47 (12) pp. 3466-3468. 10.1039/c0cc05355d.

Gaitzsch, J; Rogachev, V; Metz, P; Filimonov, VD; Zahel, M; Kataeva, O; (2011) Simple and practical one-step synthesis of new 1,3-dienic delta-sultones from terminal alkynes and some synthetic applications of these compounds. JOURNAL OF SULFUR CHEMISTRY , 32 (1) pp. 3-16. 10.1080/17415993.2010.537339.

Gao, F; Yang, SF; Hao, PW; Evans, JRG; (2011) Suspension Stability and Fractal Patterns: A Comparison using Hydroxyapatite. J AM CERAM SOC , 94 (3) 704 - 712. 10.1111/j.1551-2916.2010.04149.x.

Gardener, JA; Liaw, I; Aeppli, G; Boyd, IW; Fiddy, S; Hyett, G; Jones, TS; (2011) Oxide Nanoparticle Thin Films Created Using Molecular Templates. J PHYS CHEM C , 115 (27) 13151 - 13157. 10.1021/jp200567r.

Ghosh, S; Camellia, FK; Fatema, K; Hossain, MI; Al-Mamun, MR; Hossain, GMG; Hogarth, G; (2011) Centrosymmetric [Mn-2(CO)(6)(mu-thpymS)(2)] (thpymS = tetrahydropyrimidine-2-thionato) as a synthon to mixed-metal clusters. J ORGANOMET CHEM , 696 (18) 2935 - 2942. 10.1016/j.jorganchem.2011.03.029.

Ghosh, S; Hogarth, G; Holt, KB; Kabir, SE; Rahaman, A; Unwin, DG; (2011) Bio-inspired hydrogenase models: mixed-valence triion complexes as proton reduction catalysts. CHEM COMMUN , 47 (40) 11222 - 11224. 10.1039/c1cc13249k.

Ghosh, S; Hogarth, G; Kabir, SE; Nordlander, E; Salassa, L; Tocher, DA; (2011) Unsymmetrical alkyne binding to a triruthenium centre: Oxidative-addition of diphenyl ditelluride to the furyne cluster [Ru-3(CO)(7)(mu-H)(mu(3)-eta(2)-C4H2O){mu-P(C4H3O)(2)}(mu-dppm)]. J ORGANOMET CHEM , 696 (10) 1982 - 1989. 10.1016/j.jorganchem.2010.10.045.

Gil-Tomas, J; Dekker, L; Narband, N; Parkin, IP; Nair, SP; Street, C; Wilson, M; (2011) Lethal photosensitisation of bacteria using a tin chlorin e6-glutathione-gold nanoparticle conjugate. J MATER CHEM , 21 (12) 4189 - 4196. 10.1039/c0jm03555f.

Gill, MR; Derrat, H; Smythe, CG; Battaglia, G; Thomas, JA; (2011) Ruthenium(II) metallo-intercalators: DNA imaging and cytotoxicity. Chembiochem , 12 (6) pp. 877-880. 10.1002/cbic.201000782.

Glaser, K.J.; (2011) Computational studies of silica. Doctoral thesis, UCL (University College London). Green open access
file

Godinho, KG; Morgan, BJ; Allen, JP; Scanlon, DO; Watson, GW; (2011) Chemical bonding in copper-based transparent conducting oxides: CuMO2 (M = In, Ga, Sc). J Phys Condens Matter , 23 (33) 334201-. 10.1088/0953-8984/23/33/334201.

Gomez-Hortiguela, L; Cora, F; Catlow, CRA; (2011) Aerobic Oxidation of Hydrocarbons Catalyzed by Mn-Doped Nanoporous Aluminophosphates (II): Hydroperoxide Decomposition. ACS CATAL , 1 (8) pp. 945-955. 10.1021/cs2001169.

Gomez-Hortiguela, L; Cora, F; Catlow, CRA; (2011) Aerobic Oxidation of Hydrocarbons Catalyzed by Mn-Doped Nanoporous Aluminophosphates (III): Propagation Mechanism. ACS CATAL , 1 (11) pp. 1487-1497. 10.1021/cs200401f.

Gomez-Hortiguela, L; Cora, F; Catlow, CRA; (2011) Aerobic Oxidation of Hydrocarbons Catalyzed by Mn-Doped Nanoporous Aluminophosphates (IV): Regeneration Mechanism. ACS CATAL , 1 (11) pp. 1475-1486. 10.1021/cs200402b.

Gomez-Hortiguela, L; Cora, F; Catlow, CRA; (2011) Aerobic Oxidation of Hydrocarbons Catalyzed by Mn-Doped Nanoporous Aluminophosphates(I): Preactivation of the Mn Sites. ACS CATAL , 1 (1) 18 - 28. 10.1021/cs100068t.

Goodworth, KJ; Herve, AC; Stavropoulos, E; Herve, G; Casades, I; Hill, AM; Weingarten, GG; (2011) Synthesis and in vivo biological activity of large-ringed calixarenes against Mycobacterium tuberculosis. TETRAHEDRON , 67 (2) 373 - 382. 10.1016/j.tet.2010.11.034.

Gosvami, NN; Egberts, P; Bennewitz, R; (2011) Molecular Order and Disorder in the Frictional Response of Alkanethiol Self-Assembled Monolayers. J PHYS CHEM A , 115 (25) 6942 - 6947. 10.1021/jp1121728.

Gosvami, NN; Feldmann, M; Peguiron, J; Moseler, M; Schirmeisen, A; Bennewitz, R; (2011) Ageing of a Microscopic Sliding Gold Contact at Low Temperatures. PHYS REV LETT , 107 (14) , Article 144303. 10.1103/PhysRevLett.107.144303. Green open access
file

Grau-Crespo, R; Schwingenschlogl, U; (2011) The interplay between dopants and oxygen vacancies in the magnetism of V-doped TiO2. J PHYS-CONDENS MAT , 23 (33) , Article 334216. 10.1088/0953-8984/23/33/334216.

Grau-Crespo, R; de Leeuw, NH; Hamad, S; Waghmare, UV; (2011) Phase separation and surface segregation in ceria-zirconia solid solutions. P ROY SOC A-MATH PHY , 467 (2131) 1925 - 1938. 10.1098/rspa.2010.0512.

Greaves, GN; Wilding, MC; Langstaff, D; Kargl, F; Hennet, L; Benmore, CJ; Weber, JKR; (2011) Composition and polyamorphism in supercooled yttria-alumina melts. JOURNAL OF NON-CRYSTALLINE SOLIDS , 357 (2) pp. 435-441. 10.1016/j.jnoncrysol.2010.06.072.

Grinter, D.C.; (2011) Surface studies of metal oxide catalysts and ultrathin films. Doctoral thesis, UCL (University College London). Green open access
file

Grinter, DC; Thornton, G; (2011) Characterization tools of ultrathin oxide films. In: Pacchioni, G and Valeri, S, (eds.) Oxide Ultrathin Films: Science and Technology. (? - ?). VCH

Groen, D; Henrich, O; Janoschek, F; Coveney, P; Harting, J; (2011) Lattice-Boltzmann methods in fluid dynamics: Turbulence and complex colloidal fluids. (Jülich Blue Gene/P Extreme Scaling Workshop 2011 ). Jülich Supercomputing Centre (JSC): Jülich, Germany.

Groen, D; Rieder, S; Zwart, SP; (2011) High performance cosmological simulations on a grid of supercomputers. Presented at: UNSPECIFIED.

Groen, D; Suter, J; Coveney, P; (2011) Modelling distributed multiscale simulation performance: An application to nanocomposites. Presented at: UNSPECIFIED.

Groen, D; Zasada, SJ; Coveney, PV; (2011) Taxonomy of multiscale computing communities. Presented at: UNSPECIFIED.

Groen, D; Zwart, SP; Ishiyama, T; Makino, J; (2011) High-performance gravitational N-body simulations on a planet-wide- distributed supercomputer. Computational Science and Discovery , 4 (1) 10.1088/1749-4699/4/1/015001.

Gutowski, M; Keolopile, Z; Ling, S; Abramov, AV; (2011) Supressing energy barriers between conformers on molecular potential energy surfaces. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.

H

Habgood, M; (2011) Form II Caffeine: A Case Study for Confirming and Predicting Disorder in Organic Crystals. CRYST GROWTH DES , 11 (8) 3600 - 3608. 10.1021/cg2005612.

Habgood, M; Grau-Crespo, R; Price, SL; (2011) Substitutional and orientational disorder in organic crystals: a symmetry-adapted ensemble model. PHYS CHEM CHEM PHYS , 13 (20) 9590 - 9600. 10.1039/c1cp20249a.

Haidar, AN; Zasada, SJ; Coveney, PV; Abdallah, AE; Beckles, B; Jones, MA; (2011) Audited credential delegation: a usable security solution for the virtual physiological human toolkit. Interface Focus , 1 (3) pp. 462-473. 10.1098/rsfs.2010.0026.

Hall, BA; Armitage, JP; Sansom, MS; (2011) Transmembrane helix dynamics of bacterial chemoreceptors supports a piston model of signalling. PLoS Computational Biology , 7 (10) , Article e1002204. 10.1371/journal.pcbi.1002204. Green open access
file

Hall, BA; Chetwynd, AP; Sansom, MS; (2011) Exploring peptide-membrane interactions with coarse-grained MD simulations. Biophys J , 100 (8) pp. 1940-1948. 10.1016/j.bpj.2011.02.041.

Hamad, S; Catlow, CRA; (2011) Are glycine cyclic dimers stable in aqueous solution? CRYSTENGCOMM , 13 (13) pp. 4391-4399. 10.1039/c0ce00877j.

Hammond, C; Lopez-Sanchez, JA; Ab Rahim, MH; Dimitratos, N; Jenkins, RL; Carley, AF; He, Q; (2011) Synthesis of glycerol carbonate from glycerol and urea with gold-based catalysts. DALTON T , 40 (15) 3927 - 3937. 10.1039/c0dt01389g.

Harutyunyan, H; Volpe, G; Quidant, R; Novotny, L; (2011) Nonlinear optical response of nanoantennas. Presented at: UNSPECIFIED.

Hearnden, V; MacNeil, S; Battaglia, G; (2011) Tracking nanoparticles in three-dimensional tissue-engineered models using confocal laser scanning microscopy. Methods Mol Biol , 695 pp. 41-51. 10.1007/978-1-60761-984-0_3.

Henrich, O; Stratford, K; Cates, ME; Marenduzzo, D; (2011) Structure of Blue Phase III of Cholesteric Liquid Crystals. Physical Review Letters , 106 (10) , Article 107801. 10.1103/PhysRevLett.106.107801. Green open access
file

Hereijgers, BPC; Eggenhuisen, TM; de Jong, KP; Talsma, H; van der Eerden, AMJ; Beale, AM; Weckhuysen, BM; (2011) Understanding the Promotion Effect of Lanthanum Oxide on Gold-Based Catalysts in the Partial Oxidation of Methanol by in Situ XAFS and DSC Studies. The Journal of Physical Chemistry C , 115 (31) pp. 15545-15554. 10.1021/jp204919z.

Hewer, T; Nekovee, M; Coveney, PV; (2011) Universality of Performance Parameters in Vehicular ad hoc Networks. IEEE COMMUN LETT , 15 (9) 947 - 949. 10.1109/LCOMM.2011.062911.110710.

Hill, GL; Bailey, E; Stennett, MC; Hyatt, NC; Maddrell, EM; McMillan, PF; Hriljac, JA; (2011) High-Pressure and -Temperature Ion Exchange of Aluminosilicate and Gallosilicate Natrolite. J AM CHEM SOC , 133 (35) 13883 - 13885. 10.1021/ja205680c.

Hirano, K; Izumi, M; Macmillan, D; Tezuka, K; Tsuji, T; Kajihara, Y; (2011) Semisynthesis of Erythropoietin Analog Having Three Oligosaccharides. JOURNAL OF CARBOHYDRATE CHEMISTRY , 30 (4-6) pp. 306-319. 10.1080/07328303.2011.604570.

Hollingsworth, N; Johnson, AL; Kingsley, A; Kockiok-Koehn, G; Molloy, KC; (2011) Structural Study of the Reaction of Methylzinc Amino Alcoholates with Oxygen (vol 29, pg 3318, 2010). ORGANOMETALLICS , 30 (16) 4470 - 4470. 10.1021/om2006276.

Holt, KB; (2011) Diamond Ultramicroelectrodes and Nanostructured Electrodes. In: Brillas, E and Martinez-Huitle, CA, (eds.) Synthetic Diamond Films: Preparation, Electrochemistry, Characterization, and Applications. (133 - 152). John Wiley & Sons: New Jersey, USA.

Horsfall, L.R.; (2011) Stereoselective synthesis of pyrrolidinones via nitro-Mannich reaction: towards the synthesis of popolohuanone E. Doctoral thesis, UCL (University College London). Green open access
file

Hossain, MA; Jennings, JR; Koh, ZY; Wang, Q; (2011) Carrier Generation and Collection in CdS/CdSe-Sensitized SnO 2 Solar Cells Exhibiting Unprecedented Photocurrent Densities. ACS Nano , 5 (4) pp. 3172-3181. 10.1021/nn200315b.

Hossain, MI; Ghosh, S; Hogarth, G; Hossain, GMG; Kabir, SE; (2011) Bridging allyl ligands upon allene insertion into electron-deficient triosmium-hydride clusters [Os-3(CO)(9)(mu(3)-NSC7H3R)(mu-H)] (R = H, Me). J ORGANOMET CHEM , 696 (18) 3036 - 3039. 10.1016/j.jorganchem.2011.04.024.

Hothersall, JD; Black, J; Caddick, S; Vinter, JG; Tinker, A; Baker, JR; (2011) The design, synthesis and pharmacological characterization of novel beta(2)-adrenoceptor antagonists. BRIT J PHARMACOL , 164 (2) pp. 317-331. 10.1111/j.1476-5381.2011.01269.x.

Howorka, S; (2011) Molecular assembly in natural and engineered systems. Preface. Prog Mol Biol Transl Sci , 103 xi-xii. 10.1016/B978-0-12-415906-8.00014-5.

Howorka, S; (2011) Rationally engineering natural protein assemblies in nanobiotechnology. CURR OPIN BIOTECH , 22 (4) 485 - 491. 10.1016/j.copbio.2011.05.003.

Hunt, SA; Walker, AM; McCormack, RJ; Dobson, DP; Wills, AS; Li, L; (2011) The effect of pressure on thermal diffusivity in pyroxenes. MINERAL MAG , 75 (5) 2597 - 2610. 10.1180/minmag.2011.075.5.2597.

Hurisso, BB; Lovelock, KRJ; Licence, P; (2011) Amino acid-based ionic liquids: using XPS to probe the electronic environment via binding energies. PHYS CHEM CHEM PHYS , 13 (39) 17737 - 17748. 10.1039/c1cp21763a.

Hutchings, G; Dimitratos, N; Miedziak, P; (2011) Nanocrystalline gold catalysts for selective oxidation. Presented at: UNSPECIFIED.

Hutchings, GJ; Hammond, C; Ab Rahim, MH; Dimitratos, N; Jenkins, RL; Carley, AF; He, Q; (2011) Synthesis of chemicals from glycerol with gold-based catalysts. ACS National Meeting Book of Abstracts

Hutchins, PT; Leynaud, O; O'Dell, LA; Smith, ME; Barnes, P; McMillan, PF; (2011) Time-Resolved in Situ Synchrotron X-ray Diffraction Studies of Type 1 Silicon Clathrate Formation. CHEMISTRY OF MATERIALS , 23 (23) pp. 5160-5167. 10.1021/cm2018136.

Hyde, TI; Ash, PW; Boyd, DA; Randlshofer, G; Rothenbacher, K; Sankar, G; (2011) X-Ray Absorption Spectroscopic Studies of Platinum Speciation in Fresh and Road Aged Light-Duty Diesel Vehicle Emission Control Catalysts. PLATIN MET REV , 55 (4) pp. 233-245. 10.1595/147106711X598910. Gold open access

I

Iqbal, F; Ellwood, R; Mortensen, M; Smart, TG; Baker, JR; (2011) Synthesis and evaluation of highly potent GABA(A) receptor antagonists based on gabazine (SR-95531). BIOORG MED CHEM LETT , 21 (14) 4252 - 4254. 10.1016/j.bmcl.2011.05.067.

Irrera, S; De Leeuw, NH; (2011) Influence of intermolecular forces on the self-assembly of uracil on gold surfaces. In: (Proceedings) 241st National Meeting and Exposition of the American-Chemical-Society (ACS). AMER CHEMICAL SOC

Irrera, S; Habgood, M; Portalone, G; (2011) Ab initio molecular dynamics of 5-formyluracil polymorphs. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. ? - ?). AMER CHEMICAL SOC

Irrera, S; Habgood, M; Portalone, G; (2011) Polymorph prediction and molecular modelling of 5-formyluracil. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. ? - ?). AMER CHEMICAL SOC

Irrera, S; de Leeuw, NH; (2011) A density functional theory study of the adsorption of uracil on the Au(100) surface. P ROY SOC A-MATH PHY , 467 (2131) pp. 1959-1969. 10.1098/rspa.2010.0657.

Islam, S; (2011) Studies towards the chemical origins of life. Doctoral thesis, University of Manchester.

Ismail, S; Perni, S; Pratten, J; Parkin, I; Wilson, M; (2011) Efficacy of a novel light-activated antimicrobial coating for disinfecting hospital surfaces. Infect Control Hosp Epidemiol , 32 (11) 1130 - 1132. 10.1086/662377. Green open access
file

Issa, N.; (2011) Towards more efficient screening of pharmaceutical cocrystals. Doctoral thesis, UCL (University College London). Green open access
file

J

Jacques, SDM; Di Michiel, M; Beale, AM; Sochi, T; O'Brien, MG; Espinosa-Alonso, L; Weckhuysen, BM; (2011) Dynamic X-Ray Diffraction Computed Tomography Reveals Real-Time Insight into Catalyst Active Phase Evolution. ANGEW CHEM INT EDIT , 50 (43) pp. 10148-10152. 10.1002/anie.201104604.

Jelfs, KE; Schiffmann, F; Jones, JTA; Slater, B; Cora, F; Cooper, AI; (2011) Conformer interconversion in a switchable porous organic cage. PHYS CHEM CHEM PHYS , 13 (45) 20081 - 20085. 10.1039/c1cp22527h.

Johnston, A; Bardin, J; Johnston, BF; Fernandes, P; Kennedy, AR; Price, SL; Florence, AJ; (2011) Experimental and Predicted Crystal Energy Landscapes of Chlorothiazide. CRYST GROWTH DES , 11 (2) 405 - 413. 10.1021/cg1010049.

Jones, A.B.; (2011) Studies towards combined chemo-biocatalytic reactions in water. Doctoral thesis, UCL (University College London). Green open access
file

Jones, JTA; Hasell, T; Wu, XF; Bacsa, J; Jelfs, KE; Schmidtmann, M; Chong, SY; (2011) Modular and predictable assembly of porous organic molecular crystals. NATURE , 474 (7351) 367 - 371. 10.1038/nature10125.

Joseph, AS; Tozer, G; Paley, M; Brown, NJ; Battaglia, G; (2011) Polymersomes and imaging: A quantitative approach. Technical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011 , 3 pp. 371-374.

Józefowicz, M; Aleksiejew, M; Abramov, AV; Ling, S; Gutowski, M; Heldt, J; Heldt, JR; (2011) Influence of prototropic reactions on the absorption and fluorescence spectra of methyl p-dimethylaminobenzoate and its two ortho derivatives. J Fluoresc , 21 (4) pp. 1749-1762. 10.1007/s10895-011-0870-y.

K

Kafizas, A; Dunnill, CW; Parkin, IP; (2011) The relationship between photocatalytic activity and photochromic state of nanoparticulate silver surface loaded titanium dioxide thin-films. PHYS CHEM CHEM PHYS , 13 (30) 13827 - 13838. 10.1039/c1cp20624a.

Kafizas, A; Parkin, IP; (2011) Combinatorial atmospheric pressure chemical vapor deposition (cAPCVD): a route to functional property optimization. J Am Chem Soc , 133 (50) pp. 20458-20467. 10.1021/ja208633g.

Kafizas, A.G.; (2011) Combinatorial atmospheric pressure chemical vapour deposition for optimising the functional properties of titania thin-films. Doctoral thesis, UCL (University College London). Green open access
file

Kajihara, Y; Izumi, M; Hirano, K; Murase, T; Macmillan, D; Okamoto, R; (2011) Elucidating the Function of Complex-Type Oligosaccharides by Use of Chemical Synthesis of Homogeneous Glycoproteins. ISRAEL JOURNAL OF CHEMISTRY , 51 (8-9) pp. 917-929. 10.1002/ijch.201100081.

Kalli, AC; Hall, BA; Campbell, ID; Sansom, MS; (2011) A helix heterodimer in a lipid bilayer: prediction of the structure of an integrin transmembrane domain via multiscale simulations. Structure , 19 (10) pp. 1477-1484. 10.1016/j.str.2011.07.014.

Kang, J.; (2011) Native chemical thioesterification: synthesis of peptide and protein thioesters through an N→S acyl shift. Doctoral thesis, UCL (University College London). Green open access
file

Karunatilaka, C; Bučar, DK; Ditzler, LR; Friščić, T; Swenson, DC; MacGillivray, LR; Tivanski, AV; (2011) Softening and hardening of macro- and nano-sized organic cocrystals in a single-crystal transformation. Angewandte Chemie - International Edition , 50 (37) pp. 8642-8646. 10.1002/anie.201102370.

Kazantsev, AV; Karamertzanis, PG; Adjiman, CS; Pantelides, CC; Price, SL; Galek, PTA; Day, GM; (2011) Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction. INT J PHARMACEUT , 418 (2) 168 - 178. 10.1016/j.ijpharm.2011.03.058.

Keal, TW; Sherwood, P; Dutta, G; Sokol, AA; Catlow, CRA; (2011) Characterization of hydrogen dissociation over aluminium-doped zinc oxide using an efficient massively parallel framework for QM/MM calculations. P ROY SOC A-MATH PHY , 467 (2131) 1900 - 1924. 10.1098/rspa.2010.0613.

Kehoe, AB; Scanlon, DO; Watson, GW; (2011) Nature of the band gap of Tl<inf>2</inf>O<inf>3</inf>. Physical Review B - Condensed Matter and Materials Physics , 83 (23) 10.1103/PhysRevB.83.233202.

Kehoe, AB; Scanlon, DO; Watson, GW; (2011) Role of lattice distortions in the oxygen storage capacity of divalently doped ceo 2. Chemistry of Materials , 23 (20) pp. 4464-4468. 10.1021/cm201617d.

Kermarrec, E; Mendels, P; Bert, F; Colman, RH; Wills, AS; Strobel, P; Bonville, P; (2011) Spin-liquid ground state in the frustrated kagome antiferromagnet MgCu3(OH)(6)Cl-2. PHYS REV B , 84 (10) , Article 100401. 10.1103/PhysRevB.84.100401.

Kerridge, A; Kaltsoyannis, N; (2011) Quantum Chemical Studies of the Hydration of Sr2+ in Vacuum and Aqueous Solution. CHEM-EUR J , 17 (18) 5060 - 5067. 10.1002/chem.201003226.

Kerridge, A; Kaltsoyannis, N; (2011) The coordination of Sr2+ by hydroxide: a density functional theoretical study. DALTON T , 40 (42) 11258 - 11266. 10.1039/c1dt10883b.

Kida, T; Fenner, LA; Dee, AA; Terasaki, I; Hagiwara, M; Wills, AS; (2011) The giant anomalous Hall effect in the ferromagnet Fe3Sn2-a frustrated kagome metal. J PHYS-CONDENS MAT , 23 (11) , Article 112205. 10.1088/0953-8984/23/11/112205.

King, FD; Aliev, AE; Caddick, S; Tocher, DA; (2011) A novel synthesis of (di)-benzazocinones via an endocyclic N-acyliminium ion cyclisation. ORG BIOMOL CHEM , 9 (5) 1547 - 1554. 10.1039/c0ob00559b.

King, FD; Caddick, S; (2011) Novel acid-mediated reactions of phenyl-substituted lactams. TETRAHEDRON LETTERS , 52 (50) pp. 6783-6784. 10.1016/j.tetlet.2011.10.032.

King, FD; Caddick, S; (2011) Triflic acid-mediated phenylation of N-acylaminoalkyl diethylacetals and N-acyl-2-phenyl cyclic amides. ORG BIOMOL CHEM , 9 (11) 4361 - 4366. 10.1039/c0ob01149e.

King, SJ; Price, SD; (2011) Electron ionization of SiCl4. J CHEM PHYS , 134 (7) , Article 074311. 10.1063/1.3532928.

Kiri, P; Warwick, MEA; Ridley, I; Binions, R; (2011) Fluorine doped vanadium dioxide thin films for smart windows. In: (pp. pp. 1363-1366).

Kirker, I; Kaltsoyannis, N; (2011) Does covalency really increase across the 5f series? A comparison of molecular orbital, natural population, spin and electron density analyses of AnCp(3) (An = Th-Cm; Cp = eta(5)-C5H5). DALTON T , 40 (1) 124 - 131. 10.1039/c0dt01018a.

Klimes, J.; (2011) Towards an accurate theoretical description of surface processes. Doctoral thesis, UCL (University College London). Green open access
file

Knapp, CE; Hyett, G; Parkin, IP; Carmalt, CJ; (2011) Aerosol-Assisted Chemical Vapor Deposition of Transparent Conductive Gallium-Indium-Oxide Films. CHEM MATER , 23 (7) 1719 - 1726. 10.1021/cm102292b.

Knapp, CE; Kafizas, A; Parkin, IP; Carmalt, CJ; (2011) The use of combinatorial aerosol-assisted chemical vapour deposition for the formation of gallium-indium-oxide thin films. J MATER CHEM , 21 (34) 12644 - 12649. 10.1039/c1jm11606a.

Knapp, CE; Pugh, D; McMillan, PF; Parkin, IP; Carmalt, CJ; (2011) Synthetic and Structural Studies of Donor-Functionalized Alkoxy Derivatives of Gallium. INORG CHEM , 50 (19) 9491 - 9498. 10.1021/ic201167r.

Korhonen, ST; Beale, AM; Newton, MA; Weckhuysen, BM; (2011) New Insights into the Active Surface Species of Silver Alumina Catalysts in the Selective Catalytic Reduction of NO †. The Journal of Physical Chemistry C , 115 (4) pp. 885-896. 10.1021/jp102530y.

Kruger, T; Varnik, F; Raabe, D; (2011) Particle stress in suspensions of soft objects. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 369 (1945) pp. 2414-2421. 10.1098/rsta.2011.0090.

Krüger, T; Varnik, F; Raabe, D; (2011) Efficient and accurate simulations of deformable particles immersed in a fluid using a combined immersed boundary lattice Boltzmann finite element method. Computers & Mathematics with Applications , 61 (12) pp. 3485-3505. 10.1016/j.camwa.2010.03.057.

Kudsiova, L; Ho, J; Fridrich, B; Harvey, R; Keppler, M; Ng, T; Hart, SL; (2011) Lipid chain geometry of C14 glycerol-based lipids: effect on lipoplex structure and transfection. MOL BIOSYST , 7 (2) 422 - 436. 10.1039/c0mb00149j.

Kumar, N; Raidongia, K; Mishra, AK; Waghmare, UV; Sundaresan, A; Rao, CNR; (2011) Synthetic approaches to borocarbonitrides, BCxN (x=1-2). JOURNAL OF SOLID STATE CHEMISTRY , 184 (11) pp. 2902-2908. 10.1016/j.jssc.2011.08.034.

Kumar, N; Subrahmanyam, KS; Chaturbedy, P; Raidongia, K; Govindaraj, A; Hembram, KP; Mishra, AK; (2011) Remarkable uptake of CO2 and CH4 by graphene-Like borocarbonitrides, BxCyNz. ChemSusChem , 4 (11) pp. 1662-1670. 10.1002/cssc.201100197.

Kundu, S; Kafizas, A; Hyett, G; Mills, A; Darr, JA; Parkin, IP; (2011) An investigation into the effect of thickness of titanium dioxide and gold-silver nanoparticle titanium dioxide composite thin-films on photocatalytic activity and photo-induced oxygen production in a sacrificial system. J MATER CHEM , 21 (19) 6854 - 6863. 10.1039/c0jm03492d.

Kung, KS; Canton, I; Massignani, M; Battaglia, G; Donald, AM; (2011) The development of anisotropic behaviours of 3T3 fibroblasts on microgrooved patterns. Eur Phys J E Soft Matter , 34 (3) 23-. 10.1140/epje/i2011-11023-x.

L

Labuda, A; Hausen, F; Gosvami, NN; Grutter, PH; Lennox, RB; Bennewitz, R; (2011) Switching Atomic Friction by Electrochemical Oxidation. LANGMUIR , 27 (6) 2561 - 2566. 10.1021/la104497t.

Ladkau, N; Hermann, I; Bühler, B; Schmid, A; (2011) Enzyme-Catalyzed Laurolactam Synthesis via Intramolecular Amide Bond Formation in Aqueous Solution. Advanced Synthesis & Catalysis , 353 (13) pp. 2501-2510. 10.1002/adsc.201100396.

Lafitte, VGH; Aliev, AE; Greco, E; Bala, K; Golding, P; Hailes, HC; (2011) Quadruple hydrogen bonded cytosine modules: N-1 functionalised arrays. NEW J CHEM , 35 (7) 1522 - 1527. 10.1039/c1nj20162j.

Laing, S; Hernandez-Santana, A; Sassmannshausen, J; Asquith, DL; McInnes, IB; Faulds, K; Graham, D; (2011) Quantitative Detection of Human Tumor Necrosis Factor alpha by a Resonance Raman Enzyme-Linked Immunosorbent Assay. ANAL CHEM , 83 (1) 297 - 302. 10.1021/ac1024039.

Lancaster, RW; Harris, LD; Pearson, D; (2011) Fifty-year old samples of progesterone demonstrate the complex role of synthetic impurities in stabilizing a metastable polymorph. CRYSTENGCOMM , 13 (6) 1775 - 1777. 10.1039/c0ce00858c.

Lazenby, D.T.C.; (2011) The spectroscopy of autoionising and predissociating Rydberg states of NO. Masters thesis, UCL (University College London). Green open access
file

Lazzerini, GM; Di Stasio, F; Flechon, C; Caruana, DJ; Cacialli, F; (2011) Low-temperature treatment of semiconducting interlayers for high-efficiency light-emitting diodes based on a green-emitting polyfluorene derivative. APPLIED PHYSICS LETTERS , 99 (24) 10.1063/1.3668093.

Leitner, M; Mitchell, N; Kastner, M; Schlapak, R; Gruber, HJ; Hinterdorfer, P; Howorka, S; (2011) Single-Molecule AFM Characterization of Individual Chemically Tagged DNA Tetrahedra. ACS NANO , 5 (9) 7048 - 7054. 10.1021/nn201705p.

Lennon, D; Silverwood, I; Hamilton, NG; McFarlane, AR; Parker, S; Ormerod, M; (2011) Inelastic neutron scattering and isotopic substitution experiments and their application in examining the CO2 reforming of methane over alumina-supported catalysts. Presented at: UNSPECIFIED.

Li, PL; Fenwick, O; Yilmaz, S; Breusov, D; Caruana, DJ; Allard, S; Scherf, U; (2011) Dual functions of a novel low-gap polymer for near infra-red photovoltaics and light-emitting diodes. CHEM COMMUN , 47 (31) 8820 - 8822. 10.1039/c1cc12752g.

Liang, Y; Ogundare, FO; Miranda, CR; Christie, JK; Scandolo, S; (2011) Structural properties and phase transitions in a silica clathrate. Journal of Chemical Physics , 134 (7) 10.1063/1.3532543.

Ling, S; Mei, D; Gutowski, M; (2011) Reactivity of hydrogen and methanol on (001) surfaces of WO3, ReO3, WO3/ReO3 and ReO3/WO3. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.

Ling, SL; Gutowski, M; (2011) SSC: A Tool for Constructing Libraries for Systematic Screening of Conformers. J COMPUT CHEM , 32 (9) 2047 - 2054. 10.1002/jcc.21774.

Ling, SL; Mei, DH; Gutowski, M; (2011) Reactivity of hydrogen and methanol on (0 0 1) surfaces of WO3, ReO3, WO3/ReO3 and ReO3/WO3. CATAL TODAY , 165 (1) 41 - 48. 10.1016/j.cattod.2011.01.017.

Little, D; Ning, K; Nanou, A; Wang, L; Canton, I; Battaglia, G; Azzouz, M; (2011) Polymersome mediated gene therapy for spinal muscular atrophy. HUMAN GENE THERAPY , 22 (10) A83 - A84.

LoPresti, C; Massignani, M; Fernyhough, C; Blanazs, A; Ryan, AJ; Madsen, J; Warren, NJ; (2011) Controlling polymersome surface topology at the nanoscale by membrane confined polymer/polymer phase separation. ACS Nano , 5 (3) pp. 1775-1784. 10.1021/nn102455z.

Lockyear, J.F.; (2011) The gas phase reactivity of doubly–charged ions with neutral species. Doctoral thesis, UCL (University College London). Green open access
file

Lockyear, JF; Parkes, MA; Price, SD; (2011) Fast and Efficient Fluorination of Small Molecules by SF42+. ANGEW CHEM INT EDIT , 50 (6) 1322 - 1324. 10.1002/anie.201006486.

Lockyear, JF; Ricketts, CL; Parkes, MA; Price, SD; (2011) The formation of NH+ following the reaction of N-2(2+) with H-2. CHEM SCI , 2 (1) 150 - 156. 10.1039/c0sc00344a.

Loerting, T; Winkel, K; Seidl, M; Bauer, M; Mitterdorfer, C; Handle, PH; Salzmann, CG; (2011) How many amorphous ices are there? PHYS CHEM CHEM PHYS , 13 (19) 8783 - 8794. 10.1039/c0cp02600j.

Logsdail, AJ; Akola, J; (2011) Interaction of Au16 nanocluster with defects in supporting graphite: A density-functional study. Journal of Physical Chemistry C , 115 (31) pp. 15240-15250. 10.1021/jp203274a.

Loizidou, EZ; Sun, L; Zeinalipour-Yazdi, C; (2011) Receptor-attached amphiphilic terpolymer for selective drug recognition in aqueous solutions. J Mol Recognit , 24 (4) pp. 678-686. 10.1002/jmr.1098.

Lopez-Sanchez, JA; Dimitratos, N; Glanville, N; Kesavan, L; Hammond, C; Edwards, JK; Carley, AF; (2011) Reactivity studies of Au-Pd supported nanoparticles for catalytic applications. APPL CATAL A-GEN , 391 (1-2) 400 - 406. 10.1016/j.apcata.2010.05.010.

Lovelock, KRJ; Ejigu, A; Loh, SF; Men, S; Licence, P; Walsh, DA; (2011) On the diffusion of ferrocenemethanol in room-temperature ionic liquids: an electrochemical study. PHYS CHEM CHEM PHYS , 13 (21) 10155 - 10164. 10.1039/c1cp20392d.

Luciani, S; Cavani, F; Dal Santo, V; Dimitratos, N; Rossi, M; Bianchi, CL; (2011) The mechanism of surface doping in vanadyl pyrophosphate, catalyst for n-butane oxidation to maleic anhydride: The role of Au promoter. CATAL TODAY , 169 (1) 200 - 206. 10.1016/j.cattod.2010.12.050.

Lye, G; Paul, D; Frank, B; John, W; Helen, H; (2011) Biocatalysis is the future... The future is now! Chemical Engineer (839) pp. 36-38.

M

Ma, CY; Tighe, CJ; Gruar, RI; Mahmud, T; Darr, JA; Wang, XZ; (2011) Numerical modelling of hydrothermal fluid flow and heat transfer in a tubular heat exchanger under near critical conditions. J SUPERCRIT FLUID , 57 (3) pp. 236-246. 10.1016/j.supflu.2011.03.007.

Macmillan, D; Adams, A; Premdjee, B; (2011) Shifting Native Chemical Ligation into Reverse through N→S Acyl Transfer. Isr J Chem , 51 (8-9) pp. 885-899. 10.1002/ijch.201100084.

Macmillan, D; De Cecco, M; Reynolds, NL; Santos, LFA; Barran, PE; Dorin, JR; (2011) Synthesis of Cyclic Peptides through an Intramolecular Amide Bond Rearrangement. CHEMBIOCHEM , 12 (14) 2133 - 2136. 10.1002/cbic.201100364.

Mann, S.E.; (2011) New reactions of cyclic oxygen, nitrogen and sulfur acetal derivatives. Doctoral thesis, UCL (University College London). Green open access
file

Mann, SE; Aliev, AE; Tizzard, GJ; Sheppard, TD; (2011) Sulfur-Directed Olefin Oxidations: Observation of Divergent Reaction Mechanisms in the Palladium-Mediated Acetoxylation of Unsaturated Thioacetals. Organometallics , 30 (7) 1772 - 1775. 10.1021/om2000585. Green open access
file

Mansell, SM; Kaltsoyannis, N; Arnold, PL; (2011) Small Molecule Activation by Uranium Tris(aryloxides): Experimental and Computational Studies of Binding of N-2, Coupling of CO, and Deoxygenation Insertion of CO2 under Ambient Conditions. J AM CHEM SOC , 133 (23) 9036 - 9051. 10.1021/ja2019492.

Manunta, MDI; McAnulty, RJ; Tagalakis, AD; Bottoms, SE; Campbell, F; Hailes, HC; Tabor, AB; (2011) Nebulisation of Receptor-Targeted Nanocomplexes for Gene Delivery to the Airway Epithelium. PLOS ONE , 6 (10) , Article e26768. 10.1371/journal.pone.0026768. Green open access
file

Marino, KA; Hinnemann, B; Carter, EA; (2011) Atomic-scale insight and design principles for turbine engine thermal barrier coatings from theory. Proceedings of the National Academy of Sciences of the United States of America , 108 (14) pp. 5480-5487. 10.1073/pnas.1102426108.

Marson, CM; (2011) New and unusual scaffolds in medicinal chemistry. CHEM SOC REV , 40 (11) pp. 5514-5533. 10.1039/c1cs15119c.

Marson, CM; (2011) Targeting the histamine H4 receptor. Chem Rev , 111 (11) pp. 7121-7156. 10.1021/cr900166w.

Martin, CP; Blunt, MO; Vaujour, E; Fahmi, A; D'Aleo, A; De Cola, L; Vogtle, F; (2011) Self-organised nanoparticle assemblies: a panoply of patterns. In: Krasganor, N and Gustafson, S and Pelta, DA and Verdegay, JL, (eds.) Systems Self-Assembly. (1 - 20). Elsevier Science: SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS.

Martin, H.S.C.; (2011) Molecular dynamics simulations of nucleotide translocation through α-hemolysin nanopores. Doctoral thesis, UCL (University College London). Green open access
file

Martis, M.; (2011) In situ and ex situ characterization studies of transition metal containing nanoporous catalysts. Doctoral thesis, UCL (University College London). Green open access
file

Martis, V; Nikitenko, S; Sen, S; Sankar, G; van Beek, W; Filinchuk, Y; Snigireva, I; (2011) Effects of X-rays on Crystal Nucleation in Lithium Disilicate. CRYST GROWTH DES , 11 (7) 2858 - 2865. 10.1021/cg200004y.

Masania, J.; (2011) Synthesis of tools for glycoprotein remodelling. Doctoral thesis, UCL (University College London). Green open access
file

Matar, M.K.H.A.; (2011) A computational study of the structure and properties of titanates and carbon nitride. Doctoral thesis, UCL (University College London). Green open access
file

Matharu, J; Cabailh, G; Lindsay, R; Pang, CL; Grinter, DC; Skala, T; Thornton, G; (2011) Reduction of thin-film ceria on Pt(111) by supported Pd nanoparticles probed with resonant photoemission. SURF SCI , 605 (11-12) 1062 - 1066. 10.1016/j.susc.2011.03.005.

Matharu, J.; (2011) Surface science of ultrathin metal oxide films. Doctoral thesis, UCL (University College London). Green open access
file

McFarlane, AR; Geller, H; Melloy, G; Silverwood, IP; Frost, CD; Parker, SF; Winfield, JM; (2011) Applying infrared spectroscopy, inelastic neutron scattering, DFT calculations and temperature-programmed desoption to probe the interaction of methyl propanoate on silica. Presented at: UNSPECIFIED.

McNaughter, PD; Bear, JC; Steytler, DC; Mayes, AG; Nann, T; (2011) A Thin Silica-Polymer Shell for Functionalizing Colloidal Inorganic Nanoparticles. Angewandte Chemie International Edition , 50 (44) pp. 10384-10387. 10.1002/anie.201103954.

Mead, RJ; Bennett, EJ; Kennerley, AJ; Sharp, P; Sunyach, C; Kasher, P; Berwick, J; (2011) Optimised and rapid pre-clinical screening in the SOD1(G93A) transgenic mouse model of amyotrophic lateral sclerosis (ALS). PLoS One , 6 (8) , Article e23244. 10.1371/journal.pone.0023244. Green open access
file

Men, S; Lovelock, KRJ; Licence, P; (2011) X-ray photoelectron spectroscopy of pyrrolidinium-based ionic liquids: cation-anion interactions and a comparison to imidazolium-based analogues. PHYS CHEM CHEM PHYS , 13 (33) 15244 - 15255. 10.1039/c1cp21053j.

Miedziak, P; Brett, GL; Ryabenkova, Y; Dimitratos, N; Lopez-Sanchez, JA; Sankar, M; Carley, AF; (2011) Oxidation of polyols using Au-Pd and Au-Pt alloy supported nanocrystals. 11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings

Miedziak, P; Sankar, M; Dimitratos, N; Lopez-Sanchez, JA; Carley, AF; Knight, DW; Taylor, SH; (2011) Oxidation of benzyl alcohol using supported gold-palladium nanoparticles. In: CATALYSIS TODAY. (pp. 315 - 319). ELSEVIER SCIENCE BV

Miskufova, M.; (2011) Computational studies of III-V nitride semiconductors. Doctoral thesis, UCL (University College London). Green open access
file

Mitchell, N; Kalber, T; Cooper, M; Cheung, A; Fruhwirth, G; Blower, P; Ng, T; (2011) Multimodal imaging of drug delivery using liposomes functionalised with MRI, PET and SPECT contrast agents to target sites of pathological interest. In:

Mohamed, S; Tocher, DA; Price, SL; (2011) Computational prediction of salt and cocrystal structures-Does a proton position matter? INT J PHARMACEUT , 418 (2) 187 - 198. 10.1016/j.ijpharm.2011.03.063.

Mohamed, S.; (2011) Computational crystal structure prediction and experimental characterisation of organic salts. Doctoral thesis, UCL (University College London). Green open access
file

Mohammadi, A; Welser, K; Kudsiova, L; Campbell, F; Dawson, NL; Lawrence, J; Tabor, A; (2011) Novel cationic lipopolyplexes as gene therapy vectors. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.

Mortimer, RJ; Varley, TS; (2011) Novel Color-Reinforcing Electrochromic Device Based on Surface-Confined Ruthenium Purple and Solution-Phase Methyl Viologen. Chemistry of Materials , 23 (17) pp. 4077-4082. 10.1021/cm201951n.

Mortimer, RJ; Varley, TS; (2011) Quantification of colour stimuli through the calculation of CIE chromaticity coordinates and luminance data for application to in situ colorimetry studies of electrochromic materials. Displays , 32 (1) pp. 35-44. 10.1016/j.displa.2010.10.001.

Mortimer, RJ; Varley, TS; (2011) Synthesis, characterisation and in situ colorimetry of electrochromic Ruthenium purple thin films. Dyes and Pigments , 89 (2) pp. 169-176. 10.1016/j.dyepig.2010.10.009.

Mothia, B; Appleyard, AN; Wadman, S; Tabor, AB; (2011) Synthesis of Peptides Containing Overlapping Lanthionine Bridges on the Solid Phase: An Analogue of Rings D and E of the Lantibiotic Nisin. ORG LETT , 13 (16) 4216 - 4219. 10.1021/ol201548m.

Muñoz, IG; Prieto, J; Subramanian, S; Coloma, J; Redondo, P; Villate, M; Merino, N; (2011) Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus. Nucleic Acids Res , 39 (2) pp. 729-743. 10.1093/nar/gkq801.

N

Naeem, S; White, AJP; Hogarth, G; Wilton-Ely, JDET; (2011) Multifunctional Dithiocarbamates: Synthesis and Ring-Closing Metathesis of Diallyldithiocarbamate Complexes (vol 29, pg 2547, 2010). ORGANOMETALLICS , 30 (7) 2068 - 2069. 10.1021/om200177q.

Naik, AJT; Ismail, S; Kay, C; Wilson, M; Parkin, IP; (2011) Antimicrobial activity of polyurethane embedded with methylene blue, toluidene blue and gold nanoparticles against Staphylococcus aureus; illuminated with white light. MATER CHEM PHYS , 129 (1-2) 446 - 450. 10.1016/j.matchemphys.2011.04.040.

Nan, R; Farabella, I; Schumacher, FF; Miller, A; Gor, J; Martin, ACR; Jones, DT; (2011) Zinc Binding to the Tyr402 and His402 Allotypes of Complement Factor H: Possible Implications for Age-Related Macular Degeneration. J MOL BIOL , 408 (4) 714 - 735. 10.1016/j.jmb.2011.03.006. Gold open access

Nayebossadri, S; Aguey-Zinsou, KF; Guo, ZX; (2011) Effect of nitride additives on Li-N-H hydrogen storage system. INT J HYDROGEN ENERG , 36 (13) 7920 - 7926. 10.1016/j.ijhydene.2011.01.088.

Nguyen, G; Howorka, S; Siwy, ZS; (2011) DNA Strands Attached Inside Single Conical Nanopores: Ionic Pore Characteristics and Insight into DNA Biophysics. J MEMBRANE BIOL , 239 (1-2) 105 - 113. 10.1007/s00232-010-9328-4.

Noble, A; Anderson, JC; (2011) Investigation into the use of 1,2-diamines in fused heterocycle synthesis. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.

Nunes, JPM; Veiros, LF; Vaz, PD; Afonso, CAM; Caddick, S; (2011) Asymmetric synthesis of trans-4,5-dioxygenated cyclopentenone derivatives by organocatalyzed rearrangement of pyranones and enzymatic dynamic kinetic resolution. TETRAHEDRON , 67 (15) 2779 - 2787. 10.1016/j.tet.2011.02.018.

O

O'Sullivan, MC; Sprafke, JK; Kondratuk, DV; Rinfray, C; Claridge, TD; Saywell, A; Blunt, MO; (2011) Vernier templating and synthesis of a 12-porphyrin nano-ring. Nature , 469 (7328) pp. 72-75. 10.1038/nature09683.

Oganov, AR; Schon, JC; Jansen, M; Woodley, SM; Tipton, WW; Hennig, RG; (2011) First blind test of inorganic crystal structure prediction methods. In: Oganov, AR, (ed.) Modern methods of crystal structure prediction. (pp. 223-231). WILEY-VCH: Weinheim, Germany.

Oliver, K; White, AJP; Hogarth, G; Wilton-Ely, JDET; (2011) Multimetallic complexes of group 10 and 11 metals based on polydentate dithiocarbamate ligands. DALTON T , 40 (22) 5852 - 5864. 10.1039/c0dt01745k.

Oropeza, FE; Davies, B; Palgrave, RG; Egdell, RG; (2011) Electronic basis of visible region activity in high area Sn-doped rutile TiO(2) photocatalysts. Physical Chemistry Chemical Physics , 13 pp. 7882-7891. 10.1039/c0cp02639e.

O’Brien, MG; Beale, AM; Jacques, SDM; Di Michiel, M; Weckhuysen, BM; (2011) Closing the operando gap: The application of high energy photons for studying catalytic solids at work. Applied Catalysis A: General , 391 (1-2) pp. 468-476. 10.1016/j.apcata.2010.06.027.

P

Page, K; Wilson, M; Mordan, NJ; Chrzanowski, W; Knowles, J; Parkin, IP; (2011) Study of the adhesion of Staphylococcus aureus to coated glass substrates. J MATER SCI , 46 (19) 6355 - 6363. 10.1007/s10853-011-5582-9.

Pan, D; Liu, LM; Slater, B; Michaelides, A; Wang, E; (2011) Melting the Ice: On the Relation between Melting Temperature and Size for Nanoscale Ice Crystals. ACS NANO , 5 (6) 4562 - 4569. 10.1021/nn200252w.

Park, W; Yu, D; Na, K; Jelfs, KE; Slater, B; Sakamoto, Y; Ryoo, R; (2011) Hierarchically Structure-Directing Effect of Multi-Ammonium Surfactants for the Generation of MFI Zeolite Nanosheets. CHEMISTRY OF MATERIALS , 23 (23) pp. 5131-5137. 10.1021/cm201709q.

Parker, JE; Thompson, SP; Cobb, TM; Yuan, F; Potter, J; Lennie, AR; Alexander, S; (2011) High-throughput powder diffraction on beamline I11 at Diamond. Journal of Applied Crystallography , 44 (1) pp. 102-110. 10.1107/S0021889810044948.

Parkes, MA; Lockyear, JF; Schroder, D; Roithova, J; Price, SD; (2011) Electronic state selectivity in dication-molecule single electron transfer reactions: NO2++NO. PHYS CHEM CHEM PHYS , 13 (41) 18386 - 18392. 10.1039/c1cp21612k.

Pavkov-Keller, T; Howorka, S; Keller, W; (2011) The structure of bacterial S-layer proteins. Prog Mol Biol Transl Sci , 103 pp. 73-130. 10.1016/B978-0-12-415906-8.00004-2.

Pearson, R; Warren, NJ; SPArmes, ; ALLewis, ; Battaglia, G; (2011) Controlling pH responsive polymersome assembly. Technical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011 , 1 pp. 588-591.

Pegoraro, C; MacNeil, S; Battaglia, G; (2011) Polymersome macromolecule delivery across intact human skin. Technical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011 , 3 pp. 428-431.

Pennell, MN; Unthank, MG; Turner, P; Sheppard, TD; (2011) A General Procedure for the Synthesis of Enones via Gold-Catalyzed Meyer-Schuster Rearrangement of Propargylic Alcohols at Room Temperature. J ORG CHEM , 76 (5) 1479 - 1482. 10.1021/jo102263t.

Penny, M.R.; (2011) Studies on enolate directed carbometallation reactions. Doctoral thesis, UCL (University College London). Green open access
file

Perni, S; Pratten, J; Wilson, M; Piccirillo, C; Parkin, IP; Prokopovich, P; (2011) Antimicrobial Properties of Light-activated Polyurethane Containing Indocyanine Green. J BIOMATER APPL , 25 (5) 387 - 400. 10.1177/0885328209352701.

Perni, S; Prokopovich, P; Pratten, J; Parkin, IP; Wilson, M; (2011) Nanoparticles: their potential use in antibacterial photodynamic therapy. PHOTOCH PHOTOBIO SCI , 10 (5) 712 - 720. 10.1039/c0pp00360c.

Pesnot, T; Gershater, MC; Ward, JM; Hailes, HC; (2011) Phosphate mediated biomimetic synthesis of tetrahydroisoquinoline alkaloids. CHEM COMMUN , 47 (11) 3242 - 3244. 10.1039/c0cc05282e.

Poole, A.L.; (2011) Magnetism in frustrated magnets revealed by neutron polarimetry. Doctoral thesis, UCL (University College London). Green open access
file

Powner, MW; Sutherland, JD; (2011) Prebiotic chemistry: a new modus operandi. Philos Trans R Soc Lond B Biol Sci , 366 (1580) pp. 2870-2877. 10.1098/rstb.2011.0134.

Powner, MW; Sutherland, JD; Szostak, JW; (2011) Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water (vol 132, pg 16677, 2010). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , 133 (11) pp. 4149-4150. 10.1021/ja2002023.

Powner, MW; Sutherland, JD; Szostak, JW; (2011) Chemoselective multicomponent one-pot assembly of purine precursors in water (Journal of the American Chemical Society (2010) 132 (16677-16688) DOI:10.1021/ja108197s). Journal of the American Chemical Society , 133 (11) pp. 4149-4150. 10.1021/ja2002023.

Powner, MW; Sutherland, JD; Szostak, JW; (2011) The Origins of Nucleotides. SYNLETT (14) pp. 1956-1964. 10.1055/s-0030-1261177.

Prokopovich, P; Perni, S; (2011) Comparison of JKR- and DMT-based multi-asperity adhesion model: Theory and experiment. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS , 383 (1-3) 95 - 101. 10.1016/j.colsurfa.2011.01.011.

Prokopovich, P; Perni, S; Fisher, J; Hall, RM; (2011) Spatial variation of wear on Charité lumbar discs. Acta Biomater , 7 (11) pp. 3914-3926. 10.1016/j.actbio.2011.06.036.

Pugh, D; Bloor, LG; Sathasivam, S; Parkin, IP; Carmalt, CJ; (2011) Gallium and Indium beta-Diketonate Complexes: AACVD of [In(thd)(3)] and the Attempted Synthesis of Gallium and Indium Bis(beta-diketonates). EUR J INORG CHEM (12) 1953 - 1960. 10.1002/ejic.201001235.

Pugh, D; Parkin, IP; Carmalt, CJ; (2011) beta-Ketoiminate-stabilised group 13 hydrides: Molecular precursors for the CVD of group 13 metal oxide thin films. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. ? - ?). AMER CHEMICAL SOC

Pugh, D; Parkin, IP; Carmalt, CJ; (2011) beta-Ketoiminate-stabilised group 13 hydrides: Molecular precursors for the CVD of group 13 metal oxide thin films. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. ? - ?). AMER CHEMICAL SOC

Pugsley, AJ; Bull, CL; Sella, A; Sankar, G; McMillan, PF; (2011) XAS/EXAFS studies of Ge nanoparticles produced by reaction between Mg2Ge and GeCl4. J SOLID STATE CHEM , 184 (9) 2345 - 2352. 10.1016/j.jssc.2011.06.020.

Puri, S; Quadir, IZ; Battaglia, G; Schmidhuber, J; Narasimhalu, AD; Bard, A; Latif, AA; (2011) THE BIG QUESTION Greatest Thing Since ... WHAT IS THE MOST SIGNIFICANT INVENTION OF THE PAST DECADE, AND WHAT DO YOU ANTICIPATE FOR THE FUTURE? WORLD POLICY JOURNAL , 28 (3) pp. 3-7. 10.1177/0740277511425347.

Q

Quesada Cabrera, R; Meersman, F; McMillan, PF; Dmitriev, V; (2011) Nanomechanical and structural properties of native cellulose under compressive stress. Biomacromolecules , 12 (6) pp. 2178-2183. 10.1021/bm200253h.

Quilliam, JA; Bert, F; Colman, RH; Boldrin, D; Wills, AS; Mendels, P; (2011) Ground state and intrinsic susceptibility of the kagome antiferromagnet vesignieite as seen by V-51 NMR. PHYS REV B , 84 (18) , Article 180401. 10.1103/PhysRevB.84.180401.

R

Raha, AK; Ghosh, S; Hossain, I; Kabir, SE; Nicholson, BK; Hogarth, G; Salassa, L; (2011) Synthesis of new heterometallic complexes by tin-sulfur bond cleavage of pySSnPh(3) (pySH = pyridine-2-thiol) at triruthenium and triosmium centres. J ORGANOMET CHEM , 696 (10) 2153 - 2160. 10.1016/j.jorganchem.2010.11.022.

Rahman, MA; Begum, N; Ghosh, S; Hossain, MK; Hogarth, G; Tocher, DA; Nordlander, E; (2011) Reaction of tri(2-furyl)phosphine with triosmium clusters: C-H and P-C activation to afford furyne and phosphinidene ligands. J ORGANOMET CHEM , 696 (2) 607 - 612. 10.1016/j.jorganchem.2010.09.046.

Raza, Z; Alfe, D; Salzmann, CG; Klimes, J; Michaelides, A; Slater, B; (2011) Proton ordering in cubic ice and hexagonal ice; a potential new ice phase-XIc. PHYS CHEM CHEM PHYS , 13 (44) 19788 - 19795. 10.1039/c1cp22506e.

Reddy, RS; Rosa, JN; Veiros, LF; Caddick, S; Gois, PMP; (2011) NHC/Iron cooperative catalysis: aerobic oxidative esterification of aldehydes with phenols. ORG BIOMOL CHEM , 9 (9) 3126 - 3129. 10.1039/c1ob05151b.

Richardson, JP; Macmillan, D; (2011) Semi-synthesis of glycoproteins from E. coli through native chemical ligation. In: UNSPECIFIED (pp. 151-174).

Rios-Solis, L; Halim, M; Cazares, A; Morris, P; Ward, JM; Hailes, HC; Dalby, PA; (2011) A toolbox approach for the rapid evaluation of multi-step enzymatic syntheses comprising a 'mix and match' E. coli expression system with microscale experimentation. BIOCATAL BIOTRANSFOR , 29 (5) 192 - 203. 10.3109/10242422.2011.609589.

Roldan, A; Illas, F; Tarakeshwar, P; Mujica, V; (2011) Stability and Quenching of Plasmon Resonance Absorption in Magnetic Gold Nanoparticles. JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2 (23) pp. 2996-3001. 10.1021/jz201326k.

Roldan, A; Ricart, JM; Illas, F; (2011) Origin of the size dependence of Au nanoparticles toward molecular oxygen dissociation. THEORETICAL CHEMISTRY ACCOUNTS , 128 (4-6) pp. 675-681. 10.1007/s00214-010-0806-7.

Romero-Gomez, P; Rico, V; Espinos, JP; Gonzalez-Elipe, AR; Palgrave, RG; Egdell, RG; (2011) Nitridation of nanocrystalline TiO(2) thin films by treatment with ammonia. Thin Solid Films , 519 pp. 3587-3595. 10.1016/j.tsf.2011.01.267.

Roydhouse, MD; Ghaini, A; Constantinou, A; Cantu-Perez, A; Motherwell, WB; Gavriilidis, A; (2011) Ozonolysis in Flow Using Capillary Reactors. ORG PROCESS RES DEV , 15 (5) 989 - 996. 10.1021/op200036d.

Russell, JC; Blunt, MO; Garfitt, JM; Scurr, DJ; Alexander, M; Champness, NR; Beton, PH; (2011) Dimerization of tri(4-bromophenyl)benzene by aryl-aryl coupling from solution on a gold surface. J Am Chem Soc , 133 (12) pp. 4220-4223. 10.1021/ja110837s.

Ryan, C; Lewis, AKDK; Caddick, S; Kaltsoyannis, N; (2011) DFT studies of reductive elimination, C-H activation and beta-hydride elimination in alkyl and aryl palladium amine complexes. THEOR CHEM ACC , 129 (3-5) 303 - 312. 10.1007/s00214-010-0775-x.

Ryan, CP; Smith, MEB; Schumacher, FF; Grohmann, D; Papaioannou, D; Waksman, G; Werner, F; (2011) Tunable reagents for multi-functional bioconjugation: reversible or permanent chemical modification of proteins and peptides by control of maleimide hydrolysis. Chemical Communications , 47 (19) 5452 - 5454. 10.1039/c1cc11114k. Green open access
file

S

Sadiq, SK; Konnyu, B; Muller, V; Coveney, PV; (2011) Reaction Kinetics of Catalyzed Competitive Heteropolymer Cleavage. J PHYS CHEM B , 115 (37) 11017 - 11027. 10.1021/jp206321b.

Saladino, G; Marenchino, M; Gervasio, FL; (2011) Bridging the Gap between Folding Simulations and Experiments: The Case of the Villin Headpiece. J Chem Theory Comput , 7 (9) pp. 2675-2680. 10.1021/ct2002489.

Saladino, G; Marenchino, M; Pieraccini, S; Campos-Olivas, R; Sironi, M; Gervasio, FL; (2011) A Simple Mechanism Underlying the Effect of Protecting Osmolytes on Protein Folding. J Chem Theory Comput , 7 (11) pp. 3846-3852. 10.1021/ct200471w.

Saladino, G; Pieraccini, S; Rendine, S; Recca, T; Francescato, P; Speranza, G; Sironi, M; (2011) Metadynamics study of a β-hairpin stability in mixed solvents. J Am Chem Soc , 133 (9) pp. 2897-2903. 10.1021/ja105030m.

Salamat, A; Garbarino, G; Dewaele, A; Bouvier, P; Petitgirard, S; Pickard, CJ; McMillan, PF; (2011) Dense close-packed phase of tin above 157 GPa observed experimentally via angle-dispersive x-ray diffraction. PHYS REV B , 84 (14) , Article 140104. 10.1103/PhysRevB.84.140104.

Salamat, A; Hector, AL; McMillan, PF; Ritter, C; (2011) Structure, bonding, and phase relations in Bi2Sn 2O7 and Bi2Ti2O7 pyrochlores: New insights from high pressure and high temperature studies. Inorganic Chemistry , 50 (23) pp. 11905-11913. 10.1021/ic200841v.

Saleh, LMA; Birjkumar, KH; Protchenko, AV; Schwarz, AD; Aldridge, S; Jones, C; Kaltsoyannis, N; (2011) Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B sigma-Coordinated NHC Analogues. J AM CHEM SOC , 133 (11) 3836 - 3839. 10.1021/ja2007092.

Salzmann, CG; Radaelli, PG; Slater, B; Finney, JL; (2011) The polymorphism of ice: five unresolved questions. PHYS CHEM CHEM PHYS , 13 (41) 18468 - 18480. 10.1039/c1cp21712g.

Santra, B; Klimeš, J; Alfè, D; Tkatchenko, A; Slater, B; Michaelides, A; Car, R; (2011) Hydrogen bonds and van der waals forces in ice at ambient and high pressures. Phys Rev Lett , 107 (18) 185701-. 10.1103/PhysRevLett.107.185701.

Sassmannshausen, J; (2011) Agostic or not? Detailed Density Functional Theory studies of the compounds [LRh(CO)Cl], [LRh(COD)Cl] and [LRhCl] (L = cyclic (alkyl)(amino)carbene, COD = cyclooctadiene). DALTON T , 40 (1) 136 - 141. 10.1039/c0dt01116a.

Scanlon, DO; Kehoe, AB; Watson, GW; Jones, MO; David, WI; Payne, DJ; Egdell, RG; (2011) Nature of the band gap and origin of the conductivity of PbO2 revealed by theory and experiment. Physical Review Letters , 107 (24) , Article 246402. 10.1103/PhysRevLett.107.246402. Green open access
file

Scanlon, DO; Morgan, BJ; Watson, GW; (2011) The origin of the enhanced oxygen storage capacity of Ce(1-x)(Pd/Pt)(x)O2. Phys Chem Chem Phys , 13 (10) pp. 4279-4284. 10.1039/c0cp01635g.

Scanlon, DO; Watson, GW; (2011) Band gap anomalies of the ZnM2(III)O4 (M(III)=Co, Rh, Ir) spinels. Phys Chem Chem Phys , 13 (20) pp. 9667-9675. 10.1039/c0cp02562c.

Scanlon, DO; Watson, GW; (2011) Uncovering the complex behavior of hydrogen in Cu2O. Physical Review Letters , 106 (18) , Article 186403. 10.1103/PhysRevLett.106.186403. Green open access
file

Scanlon, DO; Watson, GW; (2011) Understanding the p-type defect chemistry of CuCrO 2. Journal of Materials Chemistry , 21 (11) pp. 3655-3663. 10.1039/c0jm03852k.

Scholz, J; McQuillan, AJ; Holt, KB; (2011) Redox transformations at nanodiamond surfaces revealed by in situ infrared spectroscopy. CHEM COMMUN , 47 (44) 12140 - 12142. 10.1039/c1cc14961j.

Schumacher, FF; Nobles, M; Ryan, CP; Smith, MEB; Tinker, A; Caddick, S; Baker, JR; (2011) In Situ Maleimide Bridging of Disulfides and a New Approach to Protein PEGylation. BIOCONJUGATE CHEM , 22 (2) 132 - 136. 10.1021/bc1004685. Gold open access

Sehailia, M.; (2011) Studies towards the total synthesis of tagetitoxin. Doctoral thesis, UCL (University College London). Green open access
file

Sella, A; (2011) Classic kit. CHEM WORLD-UK , 8 (8) 60 - 60.

Sella, A; (2011) Classic kit. CHEM WORLD-UK , 8 (3) 60 - 60.

Sella, A; (2011) Classic kit. CHEM WORLD-UK , 8 (7) 60 - 60.

Sella, A; (2011) Craig's rotary evaporator. CHEM WORLD-UK , 8 (2) 62 - 62.

Sella, A; (2011) Hershberg's stirrer. CHEM WORLD-UK , 8 (5) 60 - 60.

Sella, A; (2011) Pardy apparatus. CHEM WORLD-UK , 8 (4) 60 - 60.

Sella, A; (2011) Topler pump. CHEM WORLD-UK , 8 (1) 68 - 68.

Sella, A; (2011) Volta's piles. CHEM WORLD-UK , 8 (6) 58 - 58.

Setvin, M; Brazdova, V; Bowler, DR; Tomatsu, K; Nakatsuji, K; Komori, F; Miki, K; (2011) Electronic structure of Si(110)-(16 x 2) studied by scanning tunneling spectroscopy and density functional theory. PHYS REV B , 84 (11) , Article 115317. 10.1103/PhysRevB.84.115317.

Sheppard, TD; (2011) Alternative approaches to enolate chemistry. Synlett (10) 1340 - 1344. 10.1055/s-0030-1260570. Green open access
file

Shevlin, SA; Kerkeni, B; Guo, ZX; (2011) Dehydrogenation mechanisms and thermodynamics of MNH2BH3 (M = Li, Na) metal amidoboranes as predicted from first principles. PHYS CHEM CHEM PHYS , 13 (17) 7649 - 7659. 10.1039/c0cp02213f.

Shublaq, N; Zasada, S; Coveney, P; (2011) Exciting Times in Computational Science. Journal of Computational Science , 2 (4) 315 - 315. 10.1016/j.jocs.2011.11.001.

Sikder, MDH; Ghosh, S; Kabir, SE; Hogarth, G; Tocher, DA; (2011) Chalcogenide-capped triruthenium clusters: X-ray structures of [Ru-3(CO)(6)(mu(3)-CO){P(C4H3S)(3)}(mu-dppm)(mu(3)-O)] and [(mu-H)(2)Ru-3(CO)(6){P(C4H3S)(3)}(mu-dppm)(mu(3)-S)]. INORG CHIM ACTA , 376 (1) 170 - 174. 10.1016/j.ica.2011.06.012.

Simmance, K.; (2011) The design and understanding of the mechanism of formation of nanoporous catalytic materials. Doctoral thesis, UCL (University College London). Green open access
file

Soon, YW; Clarke, TM; Zhang, W; Agostinelli, T; Kirkpatrick, J; Dyer-Smith, C; Mcculloch, I; (2011) Energy versus electron transfer in organic solar cells: A comparison of the photophysics of two indenofluorene: Fullerene blend films. Chemical Science , 2 (6) pp. 1111-1120. 10.1039/c0sc00606h.

Starkov, P; Sheppard, TD; (2011) Borate esters as convenient reagents for direct amidation of carboxylic acids and transamidation of primary amides. Organic and Biomolecular Chemistry , 9 (5) 1320 - 1323. 10.1039/c0ob01069c. Green open access
file

Starkov, P.; (2011) Applications of boronic acids in organic synthesis. Doctoral thesis, UCL (University College London). Green open access
file

Streeter, I; de Leeuw, NH; (2011) Binding of glycosaminoglycan saccharides to hydroxyapatite surfaces: a density functional theory study. Proceedings of the Royal Society A - Mathematical, Physical and Engineering Sciences , 467 (2131) 2084 - 2101. 10.1098/rspa.2010.0559. Green open access
file

Streeter, I; de Leeuw, NH; (2011) A molecular dynamics study of the interprotein interactions in collagen fibrils. Soft Matter , 7 (7) 3373 - 3382. 10.1039/c0sm01192d. Green open access
file

Suter, JL; Coveney, PV; Anderson, RL; Greenwell, HC; Cliffe, S; (2011) Rule based design of clay-swelling inhibitors. ENERG ENVIRON SCI , 4 (11) 4572 - 4586. 10.1039/c1ee01280k.

Sutto, L; Mereu, I; Gervasio, FL; (2011) Characterizeing the activation of protein kinase through an hybrid all-atom structure-based model. European Biophysics Journal with Biophysics Letters , 40 118 - 118.

Sutto, L; Mereu, I; Gervasio, FL; (2011) A Hybrid All-Atom Structure-Based Model for Protein Folding and Large Scale Conformational Transitions. J Chem Theory Comput , 7 (12) pp. 4208-4217. 10.1021/ct200547m.

T

Tabor, A; Mothia, B; Wadman, S; Appleyard, A; (2011) Solid-Phase Synthesis of Peptides Containing Overlapping Lanthionine Bridges: An Analogue of Nisin Rings D and E. In: BIOPOLYMERS. (pp. 446 - 446). WILEY-BLACKWELL

Tabor, AB; (2011) The challenge of the lantibiotics: synthetic approaches to thioether-bridged peptides. ORG BIOMOL CHEM , 9 (22) 7606 - 7628. 10.1039/c1ob05946g.

Tahara, K; Yamaga, H; Ghijsens, E; Inukai, K; Adisoejoso, J; Blunt, MO; De Feyter, S; (2011) Control and induction of surface-confined homochiral porous molecular networks. Nat Chem , 3 (9) pp. 714-719. 10.1038/nchem.1111.

Tang, E.; (2011) Computational studies of phosphate clusters and bioglasses. Doctoral thesis, UCL (University College London). Green open access
file

Taylor, AW; Lovelock, KRJ; Jones, RG; Licence, P; (2011) Borane-substituted imidazol-2-ylidenes: syntheses in vacuo. DALTON T , 40 (7) 1463 - 1470. 10.1039/c0dt01240h.

Tedaldi, L.M.; (2011) Novel methods in [2+2] photocycloadditions and cysteine modification. Doctoral thesis, UCL (University College London). Green open access
file

Thomas, T; Blackman, CS; Parkin, IP; Carmalt, CJ; (2011) Titanium arsenide films from the atmospheric pressure chemical vapour deposition of tetrakisdimethylamidotitanium and tert-butylarsine. DALTON T , 40 (40) 10664 - 10669. 10.1039/c1dt10457h.

Thomas, T; Pugh, D; Parkin, IP; Carmalt, CJ; (2011) Di-mu-chlorido-bis[dichloridobis(methylamido-kappa N)bis(methylamine-kappa N)-titanium(IV)]. ACTA CRYSTALLOGR C , 67 M234 - M236. 10.1107/S0108270111023353.

Thomas, T; Pugh, D; Parkin, IP; Carmalt, CJ; (2011) Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands. ACTA CRYSTALLOGR C , 67 m96 - m99. 10.1107/S0108270111006639.

Thomas, T.; (2011) Chemical vapour deposition of titanium and vanadium arsenide thin films. Doctoral thesis, UCL (University College London). Green open access
file

Thornton, G; (2011) Model catalyst for probling the surface science of water gas shift catalysis by ceria. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.

Thornton, G; Papageorgiou, A; Pang, C; Yim, O; Teobaldi, G; Chen, Q; Hofer, W; (2011) Imaging and spectroscopy of wet electron states on TiO2. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. ? - ?). AMER CHEMICAL SOC

Tian, X; Canton, I; Battaglia, G; (2011) Targeting transcytosis across blood-brain-barrier. Technical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011 , 3 pp. 459-462.

Tian, X; Gill, MR; Cantón, I; Thomas, JA; Battaglia, G; (2011) Live cell luminescence imaging as a function of delivery mechanism. Chembiochem , 12 (4) pp. 548-551. 10.1002/cbic.201000743.

Tighe, CJ; Gruar, RI; Ma, CY; Mahmud, T; Wang, XZ; Darr, JA; (2011) Investigation of counter-current mixing in a continuous hydrothermal flow reactor. The Journal of Supercritical Fluids , 62 165 - 172. 10.1016/j.supflu.2011.11.027. Green open access
file

Tilocca, A; (2011) Molecular dynamics simulations of a bioactive glass nanoparticle. J MATER CHEM , 21 (34) 12660 - 12667. 10.1039/c1jm11927c.

Tilocca, A; Cormack, AN; (2011) The initial stages of bioglass dissolution: a Car-Parrinello molecular-dynamics study of the glass-water interface. P ROY SOC A-MATH PHY , 467 (2131) 2102 - 2111. 10.1098/rspa.2010.0519.

Tsunashima, R; Long, DL; Endo, T; Noro, S; Akutagawa, T; Nakamura, T; Cabrera, RQ; (2011) Exploring the thermochromism of sulfite-embedded polyoxometalate capsules. Phys Chem Chem Phys , 13 (16) pp. 7295-7297. 10.1039/c1cp20074g.

Tulone, C; Sponaas, AM; Raiber, EA; Tabor, AB; Langhorne, J; Chain, BM; (2011) Differential requirement for cathepsin D for processing of the full length and C-terminal fragment of the malaria antigen MSP1. PLOS One , 6 (10) , Article e24886. 10.1371/journal.pone.0024886. Green open access
file

U

Uppal, MA; Ewing, MB; Parkin, IP; (2011) One-Pot Synthesis of Core-Shell Silver-Gold Nanoparticle Solutions and Their Interaction with Methylene Blue Dye. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (29) pp. 4534-4544. 10.1002/ejic.201100536.

V

Vallejos, S; Stoycheva, T; Umek, P; Navio, C; Snyders, R; Bittencourt, C; Llobet, E; (2011) Au nanoparticle-functionalised WO3 nanoneedles and their application in high sensitivity gas sensor devices. CHEM COMMUN , 47 (1) 565 - 567. 10.1039/c0cc02398a. Green open access
file

Vanlint, D; Mitchell, R; Bailey, E; Meersman, F; McMillan, PF; Michiels, CW; Aertsen, A; (2011) Rapid Acquisition of Gigapascal-High-Pressure Resistance by Escherichia coli. MBIO , 2 (1) , Article e00130. 10.1128/mBio.00130-10. Gold open access

Vanlint, D; Mitchell, R; Bailey, E; Meersman, F; Michiels, CW; MCMILLAN, P; Aertsen, A; (2011) Rapid acquisition of gigapascal high pressure resistance by Escherichia coli. mBio , in pre

Varsani, P; Afonja, A; Williams, DE; Parkin, IP; Binions, R; (2011) Zeolite-modified WO3 gas sensors - Enhanced detection of NO2. SENSORS AND ACTUATORS B-CHEMICAL , 160 (1) pp. 475-482. 10.1016/j.snb.2011.08.014.

Villar-Garcia, IJ; Smith, EF; Taylor, AW; Qiu, FL; Lovelock, KRJ; Jones, RG; Licence, P; (2011) Charging of ionic liquid surfaces under X-ray irradiation: the measurement of absolute binding energies by XPS. PHYS CHEM CHEM PHYS , 13 (7) 2797 - 2808. 10.1039/c0cp01587c.

Viswanathan, P; Chirasatitsin, S; Engler, A; Battaglia, G; (2011) Polymeric scaffolds by interface engineering. European Cells and Materials , 22 (SUPPL.) 75-. Gold open access

Viswanathan, P; Chirasatitsin, S; Reilly, G; Engler, A; Battaglia, G; (2011) 3D cell instructive scaffolds to direct stem cell fate. Technical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011 , 3 pp. 256-259.

Volpe, G; Volpe, G; Quidant, R; (2011) Fractal plasmonics: subdiffraction focusing and broadband spectral response by a Sierpinski nanocarpet. Opt Express , 19 (4) pp. 3612-3618. Gold open access

W

WILLS, A; (2011) Review of: Elementary scattering theory: for x-ray and neutron users, by Devinder Sivia. [Digital scholarly resource]. http://www.rsc.org/chemistryworld/Issues/2011/Octo...

Walsh, A; Catlow, CRA; Miskufova, M; Sokol, AA; (2011) Electron and hole stability in GaN and ZnO. J PHYS-CONDENS MAT , 23 (33) 10.1088/0953-8984/23/33/334217.

Walsh, A; Catlow, CRA; Zhang, KHL; Egdell, RG; (2011) Control of the band-gap states of metal oxides by the application of epitaxial strain: The case of indium oxide. PHYS REV B , 83 (16) 10.1103/PhysRevB.83.161202.

Walsh, A; Sokol, AA; Catlow, CRA; (2011) Free energy of defect formation: Thermodynamics of anion Frenkel pairs in indium oxide. PHYS REV B , 83 (22) , Article 224105. 10.1103/PhysRevB.83.224105.

Walsh, A; Woodley, SM; Catlow, CRA; Sokol, AA; (2011) Potential energy landscapes for anion Frenkel-pair formation in ceria and india. Solid State Ionics , 184 (1) pp. 52-56. 10.1016/j.ssi.2010.08.010.

Wan, SZ; Coveney, PV; (2011) Molecular Dynamics Simulation Reveals Structural and Thermodynamic Features of Kinase Activation by Cancer Mutations Within the Epidermal Growth Factor Receptor. J COMPUT CHEM , 32 (13) 2843 - 2852. 10.1002/jcc.21866.

Wan, SZ; Coveney, PV; (2011) Rapid and accurate ranking of binding affinities of epidermal growth factor receptor sequences with selected lung cancer drugs. J R SOC INTERFACE , 8 (61) 1114 - 1127. 10.1098/rsif.2010.0609.

Wang, Q; Grau-Crespo, R; de Leeuw, NH; (2011) Mixing thermodynamics of the calcite-structured (Mn,Ca)CO3 solid solution: a computer simulation study. J Phys Chem B , 115 (47) pp. 13854-13861. 10.1021/jp200378q.

Wang, Q.; (2011) A computational study of calcium carbonate. Doctoral thesis, UCL (University College London). Green open access
file

Ward, MD; King, SJ; Price, SD; (2011) Electron ionization of methane: The dissociation of the methane monocation and dication. J CHEM PHYS , 134 (2) , Article 024308. 10.1063/1.3519636.

Ward, MD; Price, SD; (2011) THERMAL REACTIONS OF OXYGEN ATOMS WITH ALKENES AT LOW TEMPERATURES ON INTERSTELLAR DUST. ASTROPHYSICAL JOURNAL , 741 (2) 10.1088/0004-637X/741/2/121.

Warren, NJ; Canton, I; Madsen, J; Armes, SP; Battaglia, G; Lewis, AL; (2011) A non-toxic cellular staining agent based on fluorescently labeled poly[2-(methacryloyloxy)ethyl phosphorylcholine]. Technical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011 , 3 pp. 344-347.

Warwick, MEA; Binions, R; (2011) On the Effects of Electric Fields in Aerosol Assisted Chemical Vapour Deposition Reactions of Vanadyl Acetylacetonate Solutions in Ethanol. In: JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY. (pp. 8126 - 8131). AMER SCIENTIFIC PUBLISHERS

Warwick, MEA; Dunnill, CW; Goodall, J; Darr, JA; Binions, R; (2011) Hybrid chemical vapour and nanoceramic aerosol assisted deposition for multifunctional nanocomposite thin films. THIN SOLID FILMS , 519 (18) 5942 - 5948. 10.1016/j.tsf.2011.03.028.

Warwick, MEA; Ridley, I; Binions, R; (2011) Electric Fields in the Chemical Vapour Deposition Growth of Vanadium Dioxide Thin Films. In: JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY. (pp. 8158 - 8162). AMER SCIENTIFIC PUBLISHERS

Watkins, M; Pan, D; Wang, EG; Michaelides, A; VandeVondele, J; Slater, B; (2011) Large variation of vacancy formation energies in the surface of crystalline ice. NAT MATER , 10 (10) 794 - 798. 10.1038/NMAT3096.

Watson, AA; Lebedev, AA; Hall, BA; Fenton-May, AE; Vagin, AA; Dejnirattisai, W; Felce, J; (2011) Structural flexibility of the macrophage dengue virus receptor CLEC5A: implications for ligand binding and signaling. J Biol Chem , 286 (27) pp. 24208-24218. 10.1074/jbc.M111.226142. Gold open access

Waugh, M.R.; (2011) The synthesis, characterisation and application of transparent conducting thin films. Doctoral thesis, UCL (University College London). Green open access
file

Welser, K; Campbell, F; Mohammadi, A; Kudsiova, L; Dawson, NL; Lawrence, MJ; Hailes, HC; (2011) Tuning a gene delivery vector: the role of peptide sequence and peptide branching in delivering of DNA and siRNA to the cytoplasm. In: BIOPOLYMERS. (pp. 516 - 516). WILEY-BLACKWELL

Weng, XL; Knowles, JC; Abrahams, I; Wu, ZB; Darr, JA; (2011) In situ variable temperature X-ray diffraction studies on the transformations of nano-precursors to La-Ni-O phases. J SOLID STATE CHEM , 184 (7) 1688 - 1694. 10.1016/j.jssc.2011.04.031.

Weng, XL; Zhang, JY; Wu, ZB; Liu, Y; Wang, HQ; Darr, JA; (2011) Continuous hydrothermal syntheses of highly active composite nanocatalysts. GREEN CHEM , 13 (4) 850 - 853. 10.1039/c0gc00631a.

Weng, XL; Zhang, JY; Wu, ZB; Liu, Y; Wang, HQ; Darr, JA; (2011) Continuous syntheses of highly dispersed composite nanocatalysts via simultaneous co-precipitation in supercritical water. APPL CATAL B-ENVIRON , 103 (3-4) 453 - 461. 10.1016/j.apcatb.2011.02.009.

Wildgoose, GG; Lawrence, EJ; Bear, JC; McNaughter, PD; (2011) Enabling electrochemical studies of chemically-modified carbon nanotubes in non-aqueous electrolytes using superparamagnetic nanoparticle-nanotube composites co-modified by diazirine molecular “tethers”. Electrochemistry Communications , 13 (10) pp. 1139-1142. 10.1016/j.elecom.2011.07.015.

Wills, AS; Bisson, WG; (2011) Elemental analysis and magnetism of hydronium jarosites-model kagome antiferromagnets and topological spin glasses. J PHYS-CONDENS MAT , 23 (16) , Article 164206. 10.1088/0953-8984/23/16/164206.

Woodley, SM; (2011) Atomistic and electronic structure of (X2O3)(n) nanoclusters; n=1-5, X = B, Al, Ga, In and Tl. P ROY SOC A-MATH PHY , 467 (2131) pp. 2020-2042. 10.1098/rspa.2011.0009.

Woodley, SM; Catlow, CRA; (2011) High-performance computing in the chemistry and physics of materials INTRODUCTION. P ROY SOC A-MATH PHY , 467 (2131) pp. 1880-1884. 10.1098/rspa.2011.0191.

Wright, D.W.; (2011) Molecular dynamics simulation of drug resistance in HIV-1 protease and reverse transcriptase. Doctoral thesis, UCL (University College London). Green open access
file

Wright, DW; Coveney, PV; (2011) Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations. J CHEM INF MODEL , 51 (10) 2636 - 2649. 10.1021/ci200308r.

X

Xia, X; Oldman, RJ; Catlow, CRA; (2011) Zirconium dioxide topological surfaces with low coordination sites. J MATER CHEM , 21 (38) pp. 14549-14558. 10.1039/c1jm11751c.

Xu, B; Dong, J; McMillan, PF; Shebanova, O; Salamat, A; (2011) Equilibrium and metastable phase transitions in silicon nitride at high pressure: A first-principles and experimental study. Physical Review B - Condensed Matter and Materials Physics , 84 (1) 10.1103/PhysRevB.84.014113.

Y

Yan, L; Xu, ZL; Grygiel, C; McMitchell, SRC; Suchomel, MR; Bacsa, J; Clark, JH; (2011) SrHf0.67Ti0.33O3 high-k films deposited on Si by pulsed laser deposition. APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING , 104 (1) pp. 447-451. 10.1007/s00339-011-6257-8.

Yang, C-S; Mora-Fonz, JM; Catlow, CRA; (2011) Stability and Structures of Aluminosilicate Clusters. JOURNAL OF PHYSICAL CHEMISTRY C , 115 (49) pp. 24102-24114. 10.1021/jp202394w.

Yang, M; Oró-Solé, J; Rodgers, JA; Jorge, AB; Fuertes, A; Attfield, JP; (2011) Anion order in perovskite oxynitrides. Nature Chemistry , 3 (1) pp. 47-52. 10.1038/nchem.908.

Yang, Y; Lin, TA; Weng, XL; Darr, JA; Wang, XZ; (2011) Data flow modeling, data mining and QSAR in high-throughput discovery of functional nanomaterials. COMPUT CHEM ENG , 35 (4) 671 - 678. 10.1016/j.compchemeng.2010.04.018.

Z

Zakeri, K; Zhang, Y; Prokop, J; Chuang, T-H; Tang, WX; Kirschner, J; (2011) Magnon excitations in ultrathin Fe layers: The influence of the Dzyaloshinskii-Moriya interaction. Journal of Physics: Conference Series , 303 (1) 012004-012004.

Zasada, SJ; Groen, D; Coveney, PV; (2011) Developing an infrastructure to support multiscale modelling and simulation. Presented at: UNSPECIFIED.

Zasada, SJ; Haidar, AN; Coveney, PV; (2011) On the usability of grid middleware and security mechanisms. PHILOS T R SOC A , 369 (1949) 3413 - 3428. 10.1098/rsta.2011.0131.

Zhang, KHL; Regoutz, A; Palgrave, RG; Payne, DJ; Egdell, RG; Walsh, A; Collins, SP; (2011) Determination of the Poisson ratio of (001) and (111) oriented thin films of In2O3 by synchrotron-based x-ray diffraction. PHYSICAL REVIEW B , 84 (23) 10.1103/PhysRevB.84.233301.

Zhang, XW; Maunder, GH; Giessmann, S; MacDonald, R; Ferguson, MJ; Bond, AH; Rogers, RD; (2011) Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands - iodides, hydrocarbyls and triethylborohydrides. DALTON T , 40 (1) 195 - 210. 10.1039/c0dt00162g.

Zhang, Y; Evans, JRG; (2011) Layered nanocomposites of plate-like particles and polymers. In: Wenning, S, (ed.) Nanotech 2011:. (pp. 854 - ?). NSTI: Cambridge, Mass..

Zhang, Y; Ignatiev, PA; Prokop, J; Tudosa, I; Peixoto, TRF; Tang, W-X; Zakeri, K; (2011) Elementary excitations at magnetic surfaces and their spin dependence. Physical review letters , 106 (12) p. 127201.

Zhang, YM; Evans, JRG; Yang, SF; (2011) Corrected Values for Boiling Points and Enthalpies of Vaporization of Elements in Handbooks. J CHEM ENG DATA , 56 (2) 328 - 337. 10.1021/je1011086.

Zhu, Q; Aryanpour, M; Paul, KW; Kabalan, L; Kubicki, JD; (2011) Density functional theory study of the structures, energetics, and vibrational spectra of phosphate adsorbed onto the (100), (010), (001), (101), and (210) surfaces of Goethite. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.

Zins, EL; Milko, P; Schroder, D; Aysina, J; Ascenzi, D; Zabka, J; Alcaraz, C; (2011) Formation of Organoxenon Dications in the Reactions of Xenon with Dications Derived from Toluene. CHEM-EUR J , 17 (14) 4012 - 4020. 10.1002/chem.201002556.

Zwijnenburg, MA; (2011) Optical excitations in stoichiometric uncapped ZnS nanostructures. NANOSCALE , 3 (9) 3780 - 3787. 10.1039/c1nr10486a.

Zwijnenburg, MA; Bromley, ST; (2011) Structural richness of ionic binary materials: An exploration of the energy landscape of magnesium oxide. PHYS REV B , 83 (2) , Article 024104. 10.1103/PhysRevB.83.024104.

Zwijnenburg, MA; Bromley, ST; (2011) Structure direction in zinc oxide and related materials by cation substitution: an analogy with zeolites. J MATER CHEM , 21 (39) 15255 - 15261. 10.1039/c1jm12383a.

Zwijnenburg, MA; Illas, F; Bromley, ST; (2011) The fate of optical excitations in small hydrated ZnS clusters: a theoretical study into the effect of hydration on the excitation and localisation of electrons in Zn4S4 and Zn6S6. PHYS CHEM CHEM PHYS , 13 (20) 9311 - 9317. 10.1039/c1cp20298g.

Zwijnenburg, MA; Sousa, C; Illas, F; Bromley, ST; (2011) The fate of optical excitations in small polyhedral ZnS clusters: A theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6. J CHEM PHYS , 134 (6) , Article 064511. 10.1063/1.3536501.

This list was generated on Sun Aug 28 11:05:37 2016 BST.