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Number of items: 100.


Ab Rahim, MH; Forde, MM; Hammond, C; Jenkins, RL; Dimitratos, N; Lopez-Sanchez, JA; Carley, AF; (2013) Systematic Study of the Oxidation of Methane Using Supported Gold Palladium Nanoparticles Under Mild Aqueous Conditions. TOPICS IN CATALYSIS , 56 (18-20) pp. 1843-1857. 10.1007/s11244-013-0121-3.

Adams, AL; Macmillan, D; (2013) Investigation of peptide thioester formation via N→Se acyl transfer. J Pept Sci , 19 (2) pp. 65-73. 10.1002/psc.2469.

Afonja, O; (2013) Use of zeolites to effect discrimination in metal oxide semiconductor gas sensors. Doctoral thesis, UCL (University College London).

Altamura, G; Roger, C; Grenet, L; Bleuse, J; Fournier, H; Perraud, S; Mariette, H; (2013) Influence of sodium-containing substrates on Kesterite CZTSSe thin films based solar cells. MRS Proceedings , 1538 pp. 103-106. 10.1557/opl.2013.1000.

Avila-Olias, M; Pegoraro, C; Battaglia, G; Canton, I; (2013) Inspired by nature: fundamentals in nanotechnology design to overcome biological barriers. Ther Deliv , 4 (1) pp. 27-43. 10.4155/tde.12.126.


Baker, JR; Schumacher, FF; Caddick, S; Smith, MEB; Chudasama, V; Maruani, A; (2013) Chemical modification of antibodies.

Beale, A; Hoffman, JP; Sankar, M; Schrojenstein-Lantman, EM; Weckhuysen, BM; (2013) Heterogeneous Catalysts for Clean Technology. In: Wilson, K and Lee, AF, (eds.) Heterogeneous Catalysts for Clean Technology. (pp. 365-411). John Wiley & Sons

Beale, A; O'Brien, MG; Weckhuysen, BM; (2013) Characterization of Solid Materials and Heterogeneous Catalysts. In: Che, M and Vedrine, JC, (eds.) Characterization of Solid Materials and Heterogeneous Catalysts. (pp. 1075-1117). John Wiley & Sons

Beale, A; Ruiz-Martinez, J; Weckhuysen, BM; (2013) In-situ Characterization of Heterogeneous Catalysts. In: Rodriguez, JA and Hanson, JC and Chupas, PJ, (eds.) In-situ Characterization of Heterogeneous Catalysts. (pp. 441-475). John Wiley & Sons

Bhachu, D; (2013) The synthesis and characterisation of metal oxide thin films. Doctoral thesis, UCL (University College London). Green open access

Boga, DA; Oord, R; Beale, AM; Chung, Y-M; Bruijnincx, PCA; Weckhuysen, BM; (2013) Highly Selective Bimetallic Pt-Cu/Mg(Al)O Catalysts for the Aqueous-Phase Reforming of Glycerol. ChemCatChem , 5 (2) pp. 529-537. 10.1002/cctc.201200112.

Bono, F; De Smet, F; Herbert, C; De Bock, K; Georgiadou, M; Fons, P; Tjwa, M; (2013) Inhibition of tumor angiogenesis and growth by a small-molecule multi-FGF receptor blocker with allosteric properties. In: Cancer Cell. (pp. 477 - 488).

Borgdorff, J; Hoekstra, AG; Mamonski, M; Bosak, B; Kurowski, K; Groen, D; Ben Belgacem, M; (2013) Multiscale computing with the multiscale modeling library and runtime environment. In: Procedia Computer Science. (pp. 1097 - 1105). Green open access

Brazdova, V; Bowler, DR; (2013) Atomistic Computer Simulations: A Practical Guide. [Book]. (1st ed.). Wiley-VCH

Briggs, RJ; (2013) In situ study of Polymorphism and Melting of Metals and Compounds under Extreme Conditions of High Pressure and High Temperature. Doctoral thesis, UCL (University College London). Green open access

Bronstein, H; Collado-Fregoso, E; Hadipour, A; Soon, YW; Huang, Z; Dimitrov, SD; Ashraf, RS; (2013) Thieno[3,2-b]thiophene-diketopyrrolopyrrole Containing Polymers for Inverted Solar Cells Devices with High Short Circuit Currents. Advanced Functional Materials , 10 (6)

Buchsbaum, SF; Mitchell, N; Martin, H; Wiggin, M; Marziali, A; Coveney, PV; Siwy, Z; (2013) Disentangling Steric and Electrostatic Factors in Nanoscale Transport Through Confined Space. Nano Letters , 13 (8) pp. 3890-3896. 10.1021/nl401968r. Green open access

Burns, JR; Stulz, E; Howorka, S; (2013) Self-Assembled DNA Nanopores That Span Lipid Bilayers. Nano Letters , 13 (6) pp. 2351-2356. 10.1021/nl304147f.

Bučar, D-K; Filip, S; Arhangelskis, M; Lloyd, GO; Jones, W; (2013) Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals. CrystEngComm , 15 (32) p. 6289. 10.1039/c3ce41013g. Green open access


Chavda, JK; (2013) Studies towards the synthesis of Nakadomarin A. Doctoral thesis, UCL (University College London). Green open access

Christov, CZ; Lodola, A; Karabencheva-Christova, TG; Wan, S; Coveney, PV; Mulholland, AJ; (2013) Conformational effects on the pro-S hydrogen abstraction reaction in cyclooxygenase-1: an integrated QM/MM and MD study. Biophys J , 104 (5) L5-L7. 10.1016/j.bpj.2013.01.040.

Cooper, JFK; Ionescu, A; Langford, RM; Ziebeck, KRA; Barnes, CHW; Gruar, R; Tighe, C; (2013) Core/shell magnetism in NiO nanoparticles. In:


Deka, U; Lezcano-Gonzalez, I; Warrender, SJ; Lorena Picone, A; Wright, PA; Weckhuysen, BM; Beale, AM; (2013) Changing active sites in Cu–CHA catalysts: deNOx selectivity as a function of the preparation method. Microporous and Mesoporous Materials , 166 (C) pp. 144-152. 10.1016/j.micromeso.2012.04.056.

Deka, U; Lezcano-Gonzalez, I; Weckhuysen, BM; Beale, AM; (2013) Local Environment and Nature of Cu Active Sites in Zeolite-Based Catalysts for the Selective Catalytic Reduction of NO. ACS Catalysis , 3 (3) pp. 413-427. 10.1021/cs300794s.

Dhankher, P; (2013) Synthesis of Novel Allosteric Agonists and Allosteric Modulators for Nicotinic Acetylcholine Receptors. Doctoral thesis, UCL (University College London). Green open access


Elacqua, E; Bučar, DK; Henry, RF; Zhang, GGZ; MacGillivray, LR; (2013) Supramolecular complexes of sulfadiazine and pyridines: Reconfigurable exteriors and chameleon-like behavior of tautomers at the co-crystal-salt boundary. Crystal Growth and Design , 13 (1) pp. 393-403. 10.1021/cg301745x.

Engelhart, AE; Powner, MW; Szostak, JW; (2013) Functional RNAs exhibit tolerance for non-heritable 2'-5' versus 3'-5' backbone heterogeneity. Nat Chem , 5 (5) pp. 390-394. 10.1038/nchem.1623.


Fletcher, S; Black, VJ; Kirkpatrick, I; Varley, TS; (2013) Quantum design of ionic liquids for extreme chemical inertness and a new theory of the glass transition. Journal of Solid State Electrochemistry , 17 (2) pp. 327-337. 10.1007/s10008-012-1974-2.


Galloway, CM; Kreuzer, MP; Aćimović, SS; Volpe, G; Correia, M; Petersen, SB; Neves-Petersen, MT; (2013) Plasmon-assisted delivery of single nano-objects in an optical hot spot. Nano Lett , 13 (9) pp. 4299-4304. 10.1021/nl402071p.

Ghorai, S; Sumrak, JC; Hutchins, KM; Bučar, DK; Tivanski, AV; Macgillivray, LR; (2013) From co-crystals to functional thin films: Photolithography using [2+2] photodimerization. Chemical Science , 4 (11) pp. 4304-4308. 10.1039/c3sc51073e.

Gibson, EK; Zandbergen, MW; Jacques, SDM; Biao, C; Cernik, RJ; O’Brien, MG; Di Michiel, M; (2013) Noninvasive Spatiotemporal Profiling of the Processes of Impregnation and Drying within Mo/Al 2 O 3 Catalyst Bodies by a Combination of X-ray Absorption Tomography and Diagonal Offset Raman Spectroscopy. ACS Catalysis , 3 (3) pp. 339-347. 10.1021/cs300746a.

Groen, D; Rieder, S; Zwart, SP; (2013) MPWide: a light-weight library for efficient message passing over wide area networks. Journal of Open Research Software , 1 , Article e9. 10.5334/jors.ah. Green open access

Gruar, RIJ; (2013) Synthesis and Characterisation of Nanomaterials Produced Using Laboratory and Pilot Scale Continuous Hydrothermal Flow Reactors. Doctoral thesis, UCL (University College London).

Gómez-Hortigüela, L; Corà, F; Catlow, CR; (2013) Complementary mechanistic properties of Fe- and Mn-doped aluminophosphates in the catalytic aerobic oxidation of hydrocarbons. Phys Chem Chem Phys , 15 (18) pp. 6870-6874. 10.1039/c3cp51079d.


Hailes, HC; Rother, D; Müller, M; Westphal, R; Ward, JM; Pleiss, J; Vogel, C; (2013) Engineering stereoselectivity of ThDP-dependent enzymes. FEBS J , 280 (24) pp. 6374-6394. 10.1111/febs.12496.

Hamilton, N; Silverwood, I; Warringham, R; Kapitán, J; Hecht, L; Webb, P; Tooze, R; (2013) Vibrational Analysis of an Industrial Fe-Based Fischer–Tropsch Catalyst Employing Inelastic Neutron Scattering. Angew. Chem. Int. Ed. , 52 (21) pp. 5608-5611. 10.1002/anie.201210179.

Hammond, C; Dimitratos, N; Jenkins, RL; Lopez-Sanchez, JA; Kondrat, SA; ab Rahim, MH; Forde, MM; (2013) Elucidation and Evolution of the Active Component within Cu/Fe/ZSM-5 for Catalytic Methane Oxidation: From Synthesis to Catalysis. ACS CATALYSIS , 3 (4) pp. 689-699. 10.1021/cs3007999.

Hammond, C; Dimitratos, N; Lopez-Sanchez, JA; Jenkins, RL; Whiting, G; Kondratt, SA; ab Rahim, MH; (2013) Aqueous-Phase Methane Oxidation over Fe-MFI Zeolites; Promotion through Isomorphous Framework Substitution. ACS CATALYSIS , 3 (8) pp. 1835-1844. 10.1021/cs400288b.

Holt, KB; (2013) Electrochemistry of Nanodiamond Particles. In: Nanodiamond. Royal Society of Chemistry

Hughes, ZE; Wright, LB; Walsh, TR; (2013) Biomolecular Adsorption at Aqueous Silver Interfaces: First-Principles Calculations, Polarizable Force-Field Simulations, and Comparisons with Gold. Langmuir , 29 (43) 13217-13229-13217-13229. 10.1021/la402839q.


Islam, S; Larrosa, I; (2013) “On Water”, Phosphine-Free Palladium-Catalyzed Room Temperature CH Arylation of Indoles. Chemistry - A European Journal , 19 (45) pp. 15093-15096. 10.1002/chem.201302838.

Iwaya, K; Bowler, DR; Brazdova, V; Ferreira da Silva, A; Renner, C; Wu, W; Fisher, AJ; (2013) Half-filled orbital and unconventional geometry of a common dopant in Si(001). PHYSICAL REVIEW B , 88 (3) , Article 035440. 10.1103/PhysRevB.88.035440. Green open access


Kalogirou, A; (2013) Development of the conjugate addition/Nitro-Mannich reaction. Doctoral thesis, UCL (University College London). Green open access

Kenny, GD; Bienemann, AS; Tagalakis, AD; Pugh, JA; Welser, K; Campbell, F; Tabor, AB; (2013) Multifunctional receptor-targeted nanocomplexes for the delivery of therapeutic nucleic acids to the brain. Biomaterials , 34 (36) pp. 9190-9200. 10.1016/j.biomaterials.2013.07.081. Green open access

Kerr, RA; (2013) Ion mobility & mass spectrometric studies of macromolecules required for organism viability. Doctoral thesis, UCL (University College London).

King, FD; Aliev, AE; Caddick, S; Tocher, DA; (2013) The triflic acid-mediated cyclization reactions of N-cinnamoyl-1-naphthylamines. J Org Chem , 78 (21) pp. 10938-10946. 10.1021/jo4018827.

King, HE; Putnis, CV; (2013) Direct observations of the influence of solution composition on magnesite dissolution. Geochimica et Cosmochimica Acta , 109 (C) pp. 113-126. 10.1016/j.gca.2013.01.032.

King, HE; Satoh, H; Tsukamoto, K; Putnis, A; (2013) Nanoscale Observations of Magnesite Growth in Chloride-And Sulfate-Rich Solutions. Environmental Science and Technology , 47 (15) pp. 8684-8691. 10.1021/es401188j.

Kinski, I; Mcmillan, PF; (2013) Gallium Nitride and Oxonitrides. pp. 91-130. 10.1002/9783527631940.ch15.

Koovits, PJ; (2013) Development of an enantioselective reductive nitro-Mannich reaction using thiourea catalysis. Doctoral thesis, UCL (University College London). Green open access

Kukwikila, MN; (2013) Synthesis of nucleoside analogues and peptides for nanoore analysis and controlled bioactivity. Doctoral thesis, UCL (University College London).

Kumar, N; Moses, K; Pramoda, K; Shirodkar, SN; Mishra, AK; Waghmare, UV; Sundaresan, A; (2013) Borocarbonitrides, BxCyNz. Journal of Materials Chemistry A , 1 (19) pp. 5806-5821. 10.1039/c3ta01345f.


Lecarpentier, D; Wittenburg, P; Elbers, W; Michelini, A; Kanso, R; Coveney, P; Baxter, R; (2013) EUDAT: A New Cross-Disciplinary Data Infrastructure for Science. International Journal of Digital Curation , 8 (1) 279 - 287. 10.2218/ijdc.v8i1.260. Green open access

Liu, Z; Fujita, N; Miyasaka, K; Han, L; Stevens, SM; Suga, M; Asahina, S; (2013) A review of fine structures of nanoporous materials as evidenced by microscopic methods. MICROSCOPY , 62 (1) 109 - 146. 10.1093/jmicro/dfs098.

Luo, W; Deka, U; Beale, AM; van Eck, ERH; Bruijnincx, PCA; Weckhuysen, BM; (2013) Ruthenium-catalyzed hydrogenation of levulinic acid: Influence of the support and solvent on catalyst selectivity and stability. Journal of Catalysis , 301 (C) pp. 175-186. 10.1016/j.jcat.2013.02.003.


MacGillivray, LR; Sander, JR; Bucar, D-K; Elacqua, E; Zhang, G; Henry, R; (2013) Sonochemical synthesis of nano-cocrystals. Proceedings of Meetings on Acoustics , 19 10.1121/1.4800411.

McMillan, PF; (2013) Materials from Extreme Conditions. In: Comprehensive Inorganic Chemistry II (Second Edition): From Elements to Applications. (pp. 17-46).

Mitchell, N; Kalber, TL; Cooper, MS; Sunassee, K; Chalker, SL; Shaw, KP; Ordidge, KL; (2013) Incorporation of paramagnetic, fluorescent and PET/SPECT contrast agents into liposomes for multimodal imaging. Biomaterials , 34 (4) 1179 - 1192. 10.1016/j.biomaterials.2012.09.070. Green open access

Mohammadi, A; (2013) Design and Development of Tuneable Cationic Lipopolyplexes as Vectors in Gene Therapy. Doctoral thesis, UCL (University College London).

Mortimer, RJ; Varley, TS; (2013) Electrochromic devices based on surface-confined Prussian blue or Ruthenium purple and aqueous solution-phase di-n-heptyl viologen. Solar Energy Materials and Solar Cells , 109 (C) pp. 275-279. 10.1016/j.solmat.2012.11.008.


Pearson, RT; Avila-Olias, M; Joseph, AS; Nyberg, S; Battaglia, G; (2013) Smart polymersomes: Formation, characterisation and applications. RSC Smart Materials , 1 (1) pp. 179-207.

Peng, H; Scanlon, DO; Stevanovic, V; Vidal, J; Watson, GW; Lany, S; (2013) Convergence of density and hybrid functional defect calculations for compound semiconductors. Physical Review B - Condensed Matter and Materials Physics , 88 (11) 10.1103/PhysRevB.88.115201.


Riskin, A; Beale, AM; Boyen, H-G; Vantomme, A; Hardy, A; Van Bael, MK; (2013) The use of XAFS to determine the nature of interaction of iron and molybdenum metal salts within PS-b-P2VP micelles. Phys. Chem. Chem. Phys. , 15 (5) pp. 1675-1681. 10.1039/C2CP43046K.

Ristanović, Z; Hofmann, JP; Deka, U; Schülli, TU; Rohnke, M; Beale, AM; Weckhuysen, BM; (2013) Intergrowth Structure and Aluminium Zoning of a Zeolite ZSM-5 Crystal as Resolved by Synchrotron-Based Micro X-Ray Diffraction Imaging. Angewandte Chemie International Edition , 52 (50) pp. 13382-13386. 10.1002/anie.201306370.

Robertson, JD; Patikarnmonthon, N; Joseph, AS; Battaglia, G; (2013) Block Copolymer Micelles and Vesicles for Drug Delivery. pp. 163-188. 10.1002/9781118747896.ch6.

Roupany, A; (2013) Novel [2+2] Photocycloadditions of Vinylogous Amides and Imides. Doctoral thesis, UCL (University College London). Green open access

Ruiz-Martínez, J; Beale, AM; Deka, U; O'Brien, MG; Quinn, PD; Mosselmans, JFW; Weckhuysen, BM; (2013) Correlating Metal Poisoning with Zeolite Deactivation in an Individual Catalyst Particle by Chemical and Phase-Sensitive X-ray Microscopy. Angewandte Chemie International Edition , 52 (23) pp. 5983-5987. 10.1002/anie.201210030.

Rumer, JW; Schroeder, BC; Nielsen, CB; Ashraf, RS; Beatrup, D; Bronstein, H; Cryer, SJ; (2013) Bis-lactam-based donor polymers for organic solar cells: Evolution by design. Thin Solid Films 10.1016/j.tsf.2013.10.089.

Ryabenkova, Y; He, Q; Miedziak, PJ; Dummer, NF; Taylor, SH; Carley, AF; Morgan, DJ; (2013) The selective oxidation of 1,2-propanediol to lactic acid using mild conditions and gold-based nanoparticulate catalysts. CATALYSIS TODAY , 203 pp. 139-145. 10.1016/j.cattod.2012.05.037.

Rycerz, K; Bubak, M; Ciepiela, E; Dyk, G; Gubala, T; Harezlak, D; Pawlik, M; (2013) Support for multiscale simulations with molecular dynamics. In: Procedia Computer Science. (pp. 1116 - 1125). Green open access


Safari-Alamuti, F; Jennings, JR; Hossain, MA; Yung, LYL; Wang, Q; (2013) Conformal growth of nanocrystalline CdX (X = S, Se) on mesoscopic NiO and their photoelectrochemical properties. Physical Chemistry Chemical Physics , 15 (13) p. 4767. 10.1039/c3cp43613f.

Sallis, S; Scanlon, DO; Chae, SC; Quackenbush, NF; Fischer, DA; Woicik, JC; Guo, JH; (2013) La-doped BaSnO3 - Degenerate perovskite transparent conducting oxide: Evidence from synchrotron x-ray spectroscopy. Applied Physics Letters , 103 (4) 10.1063/1.4816511.

Santos-Carballal, D; Suardíaz, R; Crespo-Otero, R; González, L; Pérez, CS; (2013) Conformational and NMR study of some furan derivatives by DFT methods. Journal of Molecular Modeling , 19 (10) pp. 4591-4601. 10.1007/s00894-013-1964-z.

Sathasivam, S; (2013) Single-Source Precursors for the Aerosol Assisted Chemical Vapour Deposition of Gallium Arsenide. Doctoral thesis, UCL (University College London). Green open access

Sattler, JJHB; Beale, AM; Weckhuysen, BM; (2013) Operando Raman spectroscopy study on the deactivation of Pt/Al2O3 and Pt–Sn/Al2O3 propane dehydrogenation catalysts. Physical Chemistry Chemical Physics , 15 (29) p. 12095. 10.1039/c3cp50646k.

Sayer, JR; (2013) The Synthesis of Imidazo[1,2-a]pyrazines as Inhibitors of the VirB11 ATPase and their Incorporation into Bivalent Compounds. Doctoral thesis, UCL (University College London).

Scanlon, DO; Regoutz, A; Egdell, RG; Morgan, DJ; Watson, GW; (2013) Band gap engineering of In2O3 by alloying with Tl2O3. Applied Physics Letters , 103 (26) 10.1063/1.4860986.

Schumacher, FF; (2013) Functional bridging of protein disulfide bonds with maleimides. Doctoral thesis, UCL (University College London).

Sella, A; Davies, A; (2013) The Collie Tube. In: Conversation Pieces: Inspirational objects in UCL's historic collections. (12 - 13). Shire Publications Ltd: Oxford, UK.

Skipper, CVJ; (2013) The Kubas Interaction in Transition Metal Based Hydrogen Storage Materials. Doctoral thesis, UCL (University College London). Green open access

Slomp, CP; Mort, HP; Jilbert, T; Reed, DC; Gustafsson, BG; Wolthers, M; (2013) Coupled Dynamics of Iron and Phosphorus in Sediments of an Oligotrophic Coastal Basin and the Impact of Anaerobic Oxidation of Methane. PLoS ONE , 8 (4) , Article e62386. 10.1371/journal.pone.0062386. Green open access

Soon, YW; Shoaee, S; Ashraf, RS; Bronstein, H; Schroeder, BC; Zhang, W; Fei, Z; (2013) Material Crystallinity as a Determinant of Triplet Dynamics and Oxygen Quenching in Donor Polymers for Organic Photovoltaic Devices. Advanced Functional Materials 10.1002/adfm.201302612.

Spesyvtsev, R; (2013) Experimental investigation of ultrafast internal conversion in aniline and 1,4-diazabicyclo[2.2.2]octane (DABCO). Doctoral thesis, UCL (University College London). Green open access

Swadling, JB; (2013) Nucleic Acids at the Mineral Interface - An Origins of Life Study. Doctoral thesis, UCL (University College London).


Tassell, MJ; (2013) Computational Investigations of Molecular Actinide Chemistry. Doctoral thesis, UCL (University College London).

Terranova, U; (2013) Challenges in dye-sensitised solar cells: a theoretical study. Doctoral thesis, UCL (University College London). Green open access

Toda, J; Fischer, M; Jorge, M; Gomes, JRB; (2013) Water adsorption on a copper formate paddlewheel model of CuBTC: A comparative MP2 and DFT study. Chemical Physics Letters , 587 pp. 7-13. 10.1016/j.cplett.2013.09.049.


Valdueza-Felip, S; Mukhtarova, A; Pan, Q; Altamura, G; Grenet, L; Durand, C; Bougerol, C; (2013) Photovoltaic Response of InGaN/GaN Multiple-Quantum Well Solar Cells. Japanese Journal of Applied Physics , 52 (8S) 08JH05-08JH05. 10.7567/JJAP.52.08JH05.

Volpe, G; Volpe, G; (2013) Simulation of a Brownian particle in an optical trap. American Journal of Physics , 81 (3) pp. 224-230. 10.1119/1.4772632.


Wolf, MJ; (2013) Modelling of Trapped Hole Polarons in Oxides. Doctoral thesis, UCL (University College London).

Woodhead, KE; (2013) High Pressure Polymorphism of Tantalum Nitrides and Oxynitrides. Doctoral thesis, UCL (University College London).

Wright, LB; Freeman, CL; Walsh, TR; (2013) Benzene adsorption at the aqueous (0 1 1) α-quartz interface: is surface flexibility important? Molecular Simulation , 39 (13) 1093-1102-1093-1102. 10.1080/08927022.2013.796589.

Wright, LB; Rodger, PM; Corni, S; Walsh, TR; (2013) GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100). Journal of Chemical Theory and Computation , 9 (3) 1616-1630-1616-1630. 10.1021/ct301018m.

Wright, LB; Rodger, PM; Walsh, TR; (2013) Aqueous citrate: a first-principles and force-field molecular dynamics study. RSC Adv. , 3 (37) 16399-16409-16399-16409. 10.1039/C3RA42437E.

Wright, LB; Rodger, PM; Walsh, TR; Corni, S; (2013) First-Principles-Based Force Field for the Interaction of Proteins with Au(100)(5 × 1): An Extension of GolP-CHARMM. The Journal of Physical Chemistry C , 117 (46) 24292-24306-24292-24306. 10.1021/jp4061329.

Wright, LB; Walsh, TR; (2013) Efficient conformational sampling of peptides adsorbed onto inorganic surfaces: insights from a quartz binding peptide. Phys. Chem. Chem. Phys. , 15 (13) 4715-4726-4715-4726. 10.1039/C3CP42921K.


Yang, C; (2013) The pre-nucleation of aluminosilicate zeolites: a theoretical approach (Yang, , Trans.). Doctoral thesis, UCL (University College London). Green open access

Yuan, PF; Wang, F; Sun, Q; Jia, Y; Guo, ZX; (2013) Structural and reaction pathway analyses of Mg(BH<inf>4</inf>) <inf>2</inf>·2NH<inf>3</inf> for hydrogen storage: A first-principles study. International Journal of Hydrogen Energy , 38 (6) pp. 2836-2845. 10.1016/j.ijhydene.2012.12.075.


Zakeri, K; Zhang, Y; Kirschner, J; (2013) Surface magnons probed by spin-polarized electron energy loss spectroscopy. Journal of Electron Spectroscopy and Related Phenomena , 189 pp. 157-163.

Zhang, Y; Evans, JR; (2013) Morphologies developed by the drying of droplets containing dispersed and aggregated layered double hydroxide platelets. J Colloid Interface Sci , 395 pp. 11-17. 10.1016/j.jcis.2012.09.089.

This list was generated on Sun Oct 23 06:16:47 2016 BST.