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Number of items: 407.


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.

Ab Rahim, MH; Forde, MM; Jenkins, RL; Hammond, C; He, Q; Dimitratos, N; Lopez-Sanchez, JA; (2013) Oxidation of methane to methanol with hydrogen peroxide using supported gold-palladium alloy nanoparticles. Angew Chem Int Ed Engl , 52 (4) pp. 1280-1284. 10.1002/anie.201207717.

Abdul-Karim, N; Morgan, R; Binions, R; Temple, T; Harrison, K; (2013) The spatial distribution of postblast RDX residue: forensic implications. J Forensic Sci , 58 (2) pp. 365-371. 10.1111/1556-4029.12045.

Abraham, MH; Acree, WE; (2013) Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds. Separation Science and Technology , 48 (6) 884 - 897. 10.1080/01496395.2012.721043. Green open access


Adams, AL; Cowper, B; Morgan, RE; Premdjee, B; Caddick, S; Macmillan, D; (2013) Cysteine promoted c-terminal hydrazinolysis of native peptides and proteins. Angewandte Chemie International Edition , 52 (49) 13062- 13066. 10.1002/anie.201304997. Green open access

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.

Adams, AL; Srai, SK; Macmillan, D; (2013) Hepcidin, a Challenging Arena for Developing New Ligation Methodology. In: (pp. pp. 311-312).

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

Ahmad, MF; Sarker, JC; Azam, KA; Kabir, SE; Ghosh, S; Hogarth, G; Siddiquee, TA; (2013) Re-2(CO)(6)(mu-thpymS)(2) (thpymSH = pyrimidine-2-thiol) as a versatile precursor to mono- and polynuclear complexes: X-ray crystal structures of fac-Re(CO)(3)(PPh3)(kappa(2)-thpymS) and two isomers of ReRu3(CO)(13)(mu(3)-thpymS). JOURNAL OF ORGANOMETALLIC CHEMISTRY , 728 pp. 30-37. 10.1016/j.jorganchem.2012.12.030.

Akhbar, AR; Chudasama, V; Fitzmaurice, RJ; Powell, L; Caddick, S; (2013) Acyl hydrazides as acyl donors for the synthesis of diaryl and aryl alkyl ketones. Chem Commun (Camb) , 50 (6) pp. 743-746. 10.1039/c3cc47967f. Green open access

Akinc, A; Battaglia, G; (2013) Exploiting endocytosis for nanomedicines. Cold Spring Harb Perspect Biol , 5 (11) a016980-. 10.1101/cshperspect.a016980.

Al-Jibori, SA; Al-Jibori, MHS; Hogarth, G; (2013) Thiosaccharinate binding to palladium(II) and platinum( II): Synthesis and molecular structures of sulfur-bound complexes [M(kappa(1)-tsac)(2)(kappa(2)-diphosphane)]. INORGANICA CHIMICA ACTA , 398 pp. 117-123. 10.1016/j.ica.2012.12.022.

Al-Jibori, SA; Al-Jibori, QKA; Schmidt, H; Merzweiler, K; Wagner, C; Hogarth, G; (2013) Palladium(II) saccharinate (sac) and thiosaccharinate (tsac) complexes with 2-aminopyridine (2-ampy), 2-acetylaminopyridine (2-aampy) and 2-acetylaminopyrimidine (2-aampym) co-ligands: X-ray crystal structures of trans-[Pd(sac)(2)(ampy)(2)] and solvatomorphs trans-[Pd(sac)(2)(2-aampy)(2)].S (S = CHCl3, thf). INORGANICA CHIMICA ACTA , 402 pp. 69-74. 10.1016/j.ica.2013.03.036.

Al-Jibori, SA; Al-Nassiry, AIA; Hogarth, G; Salassa, L; (2013) Platinum and palladium bis(diphenylphosphino) ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(kappa(2)-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(kappa(2)-dppf)] and [Pt(ata)(2)(kappa(2)-dppf)] (ataH = N-(2-thiazolyl)acetamide). INORGANICA CHIMICA ACTA , 398 pp. 46-53. 10.1016/j.ica.2012.12.010.

Al-Jibori, SA; Dayaaf, NA; Mohammed, MY; Merzweiler, K; Wagner, C; Hogarth, G; Richmond, MG; (2013) cis-trans Isomerism at Square-Planar MN2S2 Centers (M = Pd, Pt): Crystal Structures of N-Phenyl-N-(2-thiazoyl)thiourea Complexes trans-Pd(S2N3C10H8)(2) and cis-Pt(S2N3C10H8)(2) and Density Functional Calculations. JOURNAL OF CHEMICAL CRYSTALLOGRAPHY , 43 (7) pp. 365-372. 10.1007/s10870-013-0429-7.

Aliev, AE; Courtier-Murias, D; (2013) Concise NMR approach for molecular dynamics characterizations in organic solids. J Phys Chem A , 117 (33) pp. 7855-7862. 10.1021/jp4064005.

Allen, JP; Carey, JJ; Walsh, A; Scanlon, DO; Watson, GW; (2013) Electronic structures of antimony oxides. Journal of Physical Chemistry C , 117 (28) pp. 14759-14769. 10.1021/jp4026249.

Allen, JP; Scanlon, DO; Piper, LFJ; Watson, GW; (2013) Understanding the defect chemistry of tin monoxide. Journal of Materials Chemistry C , 1 (48) pp. 8194-8208. 10.1039/c3tc31863j.

Almora-Barrios, N; Grau-Crespo, R; de Leeuw, NH; (2013) A computational study of magnesium incorporation in the bulk and surfaces of hydroxyapatite. Langmuir , 29 (19) pp. 5851-5856. 10.1021/la400422d.

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.

Anderson, JC; Grounds, H; Szaloki, G; (2013) Synthesis of planar chiral ferrocenyl cyclopentadienyl chelate ligand precursors. TETRAHEDRON-ASYMMETRY , 24 (17) 1023 - 1034. 10.1016/j.tetasy.2013.07.006. Green open access

Anderson, JC; Kalogirou, AS; Porter, MJ; Tizzard, GJ; (2013) Synthesis of the reported structure of piperazirum using a nitro-Mannich reaction as the key stereochemical determining step. [Letter]. Beilstein Journal of Organic Chemistry , 9 1737 - 1744. 10.3762/bjoc.9.200. Green open access

Anderson, JC; Koovits, PJ; (2013) An enantioselective tandem reduction/nitro-Mannich reaction of nitroalkenes using a simple thiourea organocatalyst. Chemical Science , 4 (7) 2897 - 2901. 10.1039/c3sc50613d. Green open access

Annanouch, FE; Stoycheva, T; Vallejos, S; Blackman, C; Correig, X; Llobet, E; (2013) AA-CVD growth and ethanol sensing properties of pure and metal decorated WO3 nanoneedles. INTERNATIONAL JOURNAL OF NANOTECHNOLOGY , 10 (5-7) pp. 455-469. 10.1504/IJNT.2013.053516.

Arnold, PL; Farnaby, JH; White, RC; Kaltsoyannis, N; Gardiner, MG; Love, JB; (2013) Switchable pi-coordination and C-H metallation in small-cavity macrocyclic uranium and thorium complexes. Chemical Science , 5 (2) 756 - 765. 10.1039/c3sc52072b. Green open access

Ashraf, RS; Schroeder, BC; Bronstein, HA; Huang, Z; Thomas, S; Kline, RJ; Brabec, CJ; (2013) The influence of polymer purification on photovoltaic device performance of a series of indacenodithiophene donor polymers. Adv Mater , 25 (14) pp. 2029-2034. 10.1002/adma.201300027.

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.

Azuma, K; Dover, C; Grinter, DC; Grau-Crespo, R; Almora-Barrios, N; Thornton, G; Oda, T; (2013) Scanning Tunneling Microscopy and Molecular Dynamics Study of the Li2TiO3(001) Surface. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (10) pp. 5126-5131. 10.1021/jp3119549.


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

Battaglia, G; (2013) Molecular bionics: From synthetic viruses to chemotactic nanoparticles. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.

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

Behrle, AC; Barnes, CL; Kaltsoyannis, N; Walensky, JR; (2013) Systematic investigation of thorium(IV)- and uranium(IV)-ligand bonding in dithiophosphonate, thioselenophosphinate, and diselenophosphonate complexes. Inorg Chem , 52 (18) pp. 10623-10631. 10.1021/ic401642a.

Belin, S; Bracey, CL; Briois, V; Ellis, PR; Hutchings, GJ; Hyde, TI; Sankar, G; (2013) CuAu/SiO2 catalysts for the selective oxidation of propene to acrolein: the impact of catalyst preparation variables on material structure and catalytic performance. CATALYSIS SCIENCE & TECHNOLOGY , 3 (11) pp. 2944-2957. 10.1039/c3cy00254c.

Berardo, E; Hu, HS; Kowalski, K; Zwijnenburg, MA; (2013) Coupled cluster calculations on TiO2 nanoclusters. J Chem Phys , 139 (6) 064313-. 10.1063/1.4817536.

Bernabeu, MO; Nash, RW; Groen, D; Carver, HB; Hetherington, J; Krüger, T; Coveney, PV; (2013) Impact of blood rheology on wall shear stress in a model of the middle cerebral artery. Interface Focus , 3 (2) 20120094-. 10.1098/rsfs.2012.0094.

Bernu, B; Lhuillier, C; Kermarrec, E; Bert, F; Mendels, P; Colman, RH; Wills, AS; (2013) Exchange energies of kapellasite from high-temperature series analysis of the kagome lattice J(1)-J(2)-J(d)-Heisenberg model. PHYSICAL REVIEW B , 87 (15) 10.1103/PhysRevB.87.155107.

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

Bhachu, DS; Smith, AJ; Parkin, IP; Dent, AJ; Sankar, G; (2013) Zeolite films: a new synthetic approach. JOURNAL OF MATERIALS CHEMISTRY A , 1 (4) pp. 1388-1393. 10.1039/c2ta00528j.

Bhardwaj, RM; Price, LS; Price, SL; Reutzel-Edens, SM; Miller, GJ; Oswald, IDH; Johnston, BF; (2013) Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine. CRYSTAL GROWTH & DESIGN , 13 (4) pp. 1602-1617. 10.1021/cg301826s.

Blake, MP; Kaltsoyannis, N; Mountford, P; (2013) Synthesis and reactions of β-diketiminate-supported complexes with Mg-Fe or Yb-Fe bonds. Chem Commun (Camb) , 49 (32) pp. 3315-3317. 10.1039/c3cc41360h.

Blunt, MO; Adisoejoso, J; Tahara, K; Katayama, K; Van der Auweraer, M; Tobe, Y; De Feyter, S; (2013) Temperature-induced structural phase transitions in a two-dimensional self-assembled network. J Am Chem Soc , 135 (32) pp. 12068-12075. 10.1021/ja405585s.

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).

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. Cancer Cell , 23 (4) pp. 477-488. 10.1016/j.ccr.2013.02.019.

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

Bosco, JP; Scanlon, DO; Watson, GW; Lewis, NS; Atwater, HA; (2013) Energy-band alignment of II-VI/Zn<inf>3</inf>P<inf>2</inf> heterojunctions from x-ray photoemission spectroscopy. Journal of Applied Physics , 113 (20) 10.1063/1.4807646.

Bottorff, SC; Moore, AL; Wemple, AR; Bučar, DK; MacGillivray, LR; Benny, PD; (2013) pH-controlled coordination mode rearrangements of "clickable" Huisgen-based multidentate ligands with [M(I)(CO)3]+ (M = Re, (99m)Tc). Inorg Chem , 52 (6) pp. 2939-2950. 10.1021/ic302330u.

Bowker, M; Brookes, C; Carley, AF; House, MP; Kosif, M; Sankar, G; Wawata, I; (2013) Evolution of active catalysts for the selective oxidative dehydrogenation of methanol on Fe2O3 surface doped with Mo oxide. Phys Chem Chem Phys , 15 (29) pp. 12056-12067. 10.1039/c3cp50399b.

Bowler, FR; Chan, CK; Duffy, CD; Gerland, B; Islam, S; Powner, MW; Sutherland, JD; (2013) Prebiotically plausible oligoribonucleotide ligation facilitated by chemoselective acetylation. Nat Chem , 5 (5) pp. 383-389. 10.1038/nchem.1626.

Braun, DE; Bhardwaj, RM; Arlin, JB; Florence, AJ; Kahlenberg, V; Griesser, UJ; Tocher, DA; (2013) Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate. Cryst Growth Des , 13 (9) pp. 4071-4083. 10.1021/cg4009015.

Braun, DE; Bhardwaj, RM; Florence, AJ; Tocher, DA; Price, SL; (2013) Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates. Cryst Growth Des , 13 (1) pp. 19-23. 10.1021/cg301506x.

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

Bristow, JK; Parker, SC; Catlow, CRA; Woodley, SM; Walsh, A; (2013) Microscopic origin of the optical processes in blue sapphire. Chemical Communications , 49 (46) 5259 - 5261. 10.1039/c3cc41506f. 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 , 23 (45) pp. 5647-5654. 10.1002/adfm.201300287.

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)

Bronstein, H; Frost, JM; Hadipour, A; Kim, Y; Nielsen, CB; Ashraf, RS; Rand, BP; (2013) Effect of fluorination on the properties of a donor-acceptor copolymer for use in photovoltaic cells and transistors. Chemistry of Materials , 25 (3) pp. 277-285. 10.1021/cm301910t.

Bronstein, H; Hurhangee, M; Fregoso, EC; Beatrup, D; Soon, YW; Huang, Z; Hadipour, A; (2013) Isostructural, Deeper Highest Occupied Molecular Orbital Analogues of Poly(3-hexylthiophene) for High-Open Circuit Voltage Organic Solar Cells. CHEMISTRY OF MATERIALS , 25 (21) pp. 4239-4249. 10.1021/cm4022563.

Brown, JL; Fortier, S; Wu, G; Kaltsoyannis, N; Hayton, TW; (2013) Synthesis and spectroscopic and computational characterization of the chalcogenido-substituted analogues of the uranyl ion, [OUE]2+ (E = S, Se). J Am Chem Soc , 135 (14) pp. 5352-5355. 10.1021/ja402068j.

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

Buckeridge, J; Bromley, ST; Walsh, A; Woodley, SM; Catlow, CR; Sokol, AA; (2013) One-dimensional embedded cluster approach to modeling CdS nanowires. J Chem Phys , 139 (12) , Article 124101. 10.1063/1.4820415. Green open access

Buckeridge, J; Scanlon, DO; Walsh, A; Catlow, CRA; Sokol, AA; (2013) Dynamical response and instability in ceria under lattice expansion. PHYSICAL REVIEW B , 87 (21) , Article ARTN 214304. 10.1103/PhysRevB.87.214304.

Burns, JR; Göpfrich, K; Wood, JW; Thacker, VV; Stulz, E; Keyser, UF; Howorka, S; (2013) Lipid-Bilayer-Spanning DNA Nanopores with a Bifunctional Porphyrin Anchor. Angew Chem Int Ed Engl , 52 (46) pp. 12069-12072. 10.1002/anie.201305765. 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.

Burns, JR; Stulz, E; Howorka, S; (2013) Self-assembled DNA nanopores that span lipid bilayers. Nano Lett , 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

Bučar, D-K; Reid, DG; Duer, MJ; Jones, W; Day, GM; Halasz, I; Zhang, GGZ; (2013) The curious case of (caffeine)·(benzoic acid): How heteronuclear seeding allowed the formation of an elusive cocrystal. Chemical Science , 4 (12) 4417 - 4425. 10.1039/c3sc51419f. Green open access


Cal, PM; Frade, RF; Chudasama, V; Cordeiro, C; Caddick, S; Gois, PM; (2013) Targeting cancer cells with folic acid-iminoboronate fluorescent conjugates. Chem Commun (Camb) , 50 (40) pp. 5261-5263. 10.1039/c3cc47534d. Green open access

Canton, I; Battaglia, G; (2013) Polymersomes-mediated delivery of fluorescent probes for targeted and long-term imaging in live cell microscopy. Methods Mol Biol , 991 pp. 343-351. 10.1007/978-1-62703-336-7_31.

Canton, I; Massignani, M; Patikarnmonthon, N; Chierico, L; Robertson, J; Renshaw, SA; Warren, NJ; (2013) Fully synthetic polymer vesicles for intracellular delivery of antibodies in live cells. FASEB J , 27 (1) pp. 98-108. 10.1096/fj.12-212183.

Carenco, S; Tuxen, A; Chintapalli, M; Pach, E; Escudero, C; Ewers, TD; Jiang, P; (2013) Dealloying of Cobalt from CuCo Nanoparticles under Syngas Exposure. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (12) pp. 6259-6266. 10.1021/jp4000297.

Carmichael, P; Hazafy, D; Bhachu, DS; Mills, A; Darr, JA; Parkin, IP; (2013) Atmospheric pressure chemical vapour deposition of boron doped titanium dioxide for photocatalytic water reduction and oxidation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 15 (39) 16788 - 16794. 10.1039/c3cp52665h. Green open access

Castaneda, L; Wright, ZVF; Marculescu, C; Tran, TM; Chudasama, V; Maruani, A; Hull, EA; (2013) A mild synthesis of N-functionalised bromomaleimides, thiomaleimides and bromopyridazinediones. Tetrahedron Letters , 54 (27) 3493 -3495. 10.1016/j.tetlet.2013.04.088. Green open access

Castañeda, L; Maruani, A; Schumacher, FF; Miranda, E; Chudasama, V; Chester, KA; Baker, JR; (2013) Acid-cleavable thiomaleamic acid linker for homogeneous antibody-drug conjugation. Chemical Communications , 49 pp. 8187-8189. 10.1039/c3cc45220d. Green open access

Cazorla, C; Shevlin, SA; (2013) Accuracy of density functional theory in the prediction of carbon dioxide adsorbent materials. Dalton Trans , 42 (13) pp. 4670-4676. 10.1039/c3dt32713b.

Chaudhry, AA; Knowles, JC; Rehman, I; Darr, JA; (2013) Rapid hydrothermal flow synthesis and characterisation of carbonate- and silicate-substituted calcium phosphates. J Biomater Appl , 28 (3) pp. 448-461. 10.1177/0885328212460289.

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

Chen, B; Laverock, J; Piper, LF; Preston, AR; Cho, SW; DeMasi, A; Smith, KE; (2013) The band structure of WO3 and non-rigid-band behaviour in Na0.67WO3 derived from soft x-ray spectroscopy and density functional theory. J Phys Condens Matter , 25 (16) 165501-. 10.1088/0953-8984/25/16/165501.

Christie, JK; Ainsworth, RI; Di Tommaso, D; de Leeuw, NH; (2013) Nanoscale chains control the solubility of phosphate glasses for biomedical applications. J Phys Chem B , 117 (36) pp. 10652-10657. 10.1021/jp4058115.

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.

Chudasama, V; Akhbar, AR; Bahou, KA; Fitzmaurice, RJ; Caddick, S; (2013) Metal-free, hydroacylation of C[double bond, length as m-dash]C and N[double bond, length as m-dash]N bonds via aerobic C-H activation of aldehydes, and reaction of the products thereof. Org Biomol Chem , 11 (42) pp. 7301-7317. 10.1039/c3ob41632a. Green open access

Clarke, TM; Lungenschmied, C; Peet, J; Drolet, N; Sunahara, K; Furube, A; Mozer, AJ; (2013) Photodegradation in Encapsulated Silole-Based Polymer: PCBM Solar Cells Investigated using Transient Absorption Spectroscopy and Charge Extraction Measurements. ADVANCED ENERGY MATERIALS , 3 (11) pp. 1473-1483. 10.1002/aenm.201300337.

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

Corbos, EC; Ellis, PR; Cookson, J; Briois, V; Hyde, TI; Sankar, G; Bishop, PT; (2013) Tuning the properties of PdAu bimetallic nanocatalysts for selective hydrogenation reactions. CATALYSIS SCIENCE & TECHNOLOGY , 3 (11) pp. 2934-2943. 10.1039/c3cy00255a.

Cote, AS; Freeman, CL; Darkins, R; Duffy, DM; (2013) Structure and Orientation of MDBA Self-Assembled Monolayers and Their Interaction with Calcite: A Molecular Dynamics Study. Journal of Physical Chemistry C , 117 (14) 7148 - 7153. 10.1021/jp4006235. Green open access

Coveney, PV; Diaz-Zuccarini, V; Graf, N; Hunter, P; Kohl, P; Tegner, J; Viceconti, M; (2013) Integrative approaches to computational biomedicine. INTERFACE FOCUS , 3 (2) 10.1098/rsfs.2013.0003.

Cowper, B; Craik, DJ; Macmillan, D; (2013) Chemically-mediated Circularisation of Recombinant Proteins. In: BIOPOLYMERS. (pp. 226 - 226).

Cowper, B; Craik, DJ; Macmillan, D; (2013) Making ends meet: chemically mediated circularization of recombinant proteins. Chembiochem , 14 (7) 809 - 812. 10.1002/cbic.201300105. Green open access

Cox, SJ; Raza, Z; Kathmann, SM; Slater, B; Michaelides, A; (2013) The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals. FARADAY DISCUSSIONS , 167 389 - 403. 10.1039/c3fd00059a. Green open access

Crick, CR; Bear, JC; Southern, P; Parkin, IP; (2013) A general method for the incorporation of nanoparticles into superhydrophobic films by aerosol assisted chemical vapour deposition. JOURNAL OF MATERIALS CHEMISTRY A , 1 (13) pp. 4336-4344. 10.1039/c3ta01629c.

Crick, CR; Gibbins, JA; Parkin, IP; (2013) Superhydrophobic polymer-coated copper-mesh; membranes for highly efficient oil-water separation. JOURNAL OF MATERIALS CHEMISTRY A , 1 (19) pp. 5943-5948. 10.1039/c3ta10636e.

Crick, CR; Parkin, IP; (2013) Relationship between surface hydrophobicity and water bounces - a dynamic method for accessing surface hydrophobicity. JOURNAL OF MATERIALS CHEMISTRY A , 1 (3) pp. 799-804. 10.1039/c2ta00880g.

Currie, SM; Findlay, EG; McHugh, BJ; Mackellar, A; Man, T; Macmillan, D; Wang, H; (2013) The human cathelicidin LL-37 has antiviral activity against respiratory syncytial virus. PLoS One , 8 (8) , Article e73659. 10.1371/journal.pone.0073659. Gold open access

Curto, AG; Taminiau, TH; Volpe, G; Kreuzer, MP; Quidant, R; van Hulst, NF; (2013) Multipolar radiation of quantum emitters with nanowire optical antennas. Nat Commun , 4 1750-. 10.1038/ncomms2769.


Daley, T; Raj, E; Ramos, S; Cibin, G; Dent, A; Hyde, TI; Sankar, G; (2013) Tracking the Formation of Nano-sized Zinc Oxide from Zinc Peroxide by In Situ XAS and XRD. In: Gold open access

Darkins, R; Côté, AS; Duffy, DM; Freeman, CL; (2013) Crystallisation rates of calcite from an amorphous precursor in confinement. Journal of Crystal Growth , 367 110 - 114. 10.1016/j.jcrysgro.2012.12.027. Green open access

Davey, S; Powner, MW; (2013) Asking original questions. Nat Chem , 5 (5) 355 - 357. 10.1038/nchem.1629.

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

Di Tommaso, D; (2013) The molecular self-association of carboxylic acids in solution: testing the validity of the link hypothesis using a quantum mechanical continuum solvation approach. CRYSTENGCOMM , 15 (33) 6564 - 6577. 10.1039/c3ce40539g. Green open access

Di Tommaso, D; Ainsworth, RI; Tang, E; de Leeuw, NH; (2013) Modelling the structural evolution of ternary phosphate glasses from melts to solid amorphous materials. Journal of Materials Chemistry B , 1 (38) 5054 - 5066. 10.1039/c3tb20662a. Green open access

Diesen, V; Jonsson, M; Parkin, IP; (2013) Improved Texturing and Photocatalytic Efficiency in TiO2 Films Grown Using Aerosol-Assisted CVD and Atmospheric Pressure CVD. CHEMICAL VAPOR DEPOSITION , 19 (10-12) pp. 355-362. 10.1002/cvde.201307067.

Downing, CA; Ahmady, B; Catlow, CR; de Leeuw, NH; (2013) The interaction of hydrogen with the {010} surfaces of Mg and Fe olivine as models for interstellar dust grains: a density functional theory study. Philos Trans A Math Phys Eng Sci , 371 (1994) 20110592-. 10.1098/rsta.2011.0592.

Draper, MC; Crick, CR; Orlickaite, V; Turek, VA; Parkin, IP; Edel, JB; (2013) Superhydrophobic surfaces as an on-chip microfluidic toolkit for total droplet control. Anal Chem , 85 (11) pp. 5405-5410. 10.1021/ac303786s.

Dutta, S; Bučar, DK; Elacqua, E; MacGillivray, LR; (2013) Single-crystal-to-single-crystal direct cross-linking and photopolymerisation of a discrete Ag(i) complex to give a 1D polycyclobutane coordination polymer. Chemical Communications , 49 (11) pp. 1064-1066. 10.1039/c2cc36458a.

Dutuit, O; Carrasco, N; Thissen, R; Vuitton, V; Alcaraz, C; Pernot, P; Balucani, N; (2013) CRITICAL REVIEW OF N, N+, N-2(+), N++, And N-2(++) MAIN PRODUCTION PROCESSES AND REACTIONS OF RELEVANCE TO TITAN'S ATMOSPHERE. ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES , 204 (2) 10.1088/0067-0049/204/2/20.

Dzade, NY; Roldan, A; de Leeuw, NH; (2013) Adsorption of methylamine on mackinawite (FES) surfaces: a density functional theory study. J Chem Phys , 139 (12) 124708-. 10.1063/1.4822040.


Edridge, JL; Freimann, K; Burke, DJ; Brown, WA; (2013) Surface science investigations of the role of CO₂ in astrophysical ices. Philos Trans A Math Phys Eng Sci , 371 (1994) 20110578-. 10.1098/rsta.2011.0578.

Egan, CK; Jacques, SD; Di Michiel, M; Cai, B; Zandbergen, MW; Lee, PD; Beale, AM; (2013) Non-invasive imaging of the crystalline structure within a human tooth. Acta Biomater , 9 (9) pp. 8337-8345. 10.1016/j.actbio.2013.06.018.

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.

Elahi, A; Caruana, DJ; (2013) Plasma electrochemistry: voltammetry in a flame plasma electrolyte. Phys Chem Chem Phys , 15 (4) pp. 1108-1114. 10.1039/c2cp43431h.

Ellwood, AR; Mortimer, AJP; Goodman, JM; Porter, MJ; (2013) Reversal of facial selectivity in a thia-Claisen rearrangement by incorporation of a vinylic bromine substituent. ORGANIC & BIOMOLECULAR CHEMISTRY , 11 (43) 7530 - 7539. 10.1039/c3ob41580e. Green open access

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.

Ezahra Annanouch, F; Vallejos, S; Stoycheva, T; Blackman, C; Llobet, E; (2013) Aerosol assisted chemical vapour deposition of gas-sensitive nanomaterials. THIN SOLID FILMS , 548 pp. 703-709. 10.1016/j.tsf.2013.04.090.


Farrow, MR; Camp, PJ; Dowding, PJ; Lewtas, K; (2013) The effects of surface curvature on the adsorption of surfactants at the solid-liquid interface. Phys Chem Chem Phys , 15 (28) pp. 11653-11660. 10.1039/c3cp50585e.

Feldberg, N; Aldous, JD; Linhart, WM; Phillips, LJ; Durose, K; Stampe, PA; Kennedy, RJ; (2013) Growth, disorder, and physical properties of ZnSnN2. APPLIED PHYSICS LETTERS , 103 (4) 10.1063/1.4816438.

Fennell, J; He, D; Tanyi, AM; Logsdail, AJ; Johnston, RL; Li, ZY; Horswell, SL; (2013) A selective blocking method to control the overgrowth of Pt on Au nanorods. J Am Chem Soc , 135 (17) pp. 6554-6561. 10.1021/ja4003475.

Ferretti, P; Pong, KU; Vagaska, B; Merchant, R; Matthews, CJ; Marson, CM; (2013) Discovery of a structurally novel, drug-like and potent inhibitor of peptidylarginine deiminase. MEDCHEMCOMM , 4 (7) pp. 1109-1113. 10.1039/c3md00091e.

Fischer, M; Bell, RG; (2013) Identifying Promising Zeolite Frameworks for Separation Applications: A Building-Block-Based Approach. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (33) pp. 17099-17110. 10.1021/jp405507y.

Fischer, M; Bell, RG; (2013) Modeling CO2 Adsorption in Zeolites Using DFT-Derived Charges: Comparing System-Specific and Generic Models. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (46) pp. 24446-24454. 10.1021/jp4086969.

Fischer, M; Bell, RG; (2013) A dispersion-corrected density-functional theory study of small molecules adsorbed in alkali-exchanged chabazites. ZEITSCHRIFT FUR KRISTALLOGRAPHIE , 228 (3) pp. 124-133. 10.1524/zkri.2012.1562.

Fletcher, JD; Parkes, MA; Price, SD; (2013) Bond-Forming Reactions of Small Triply Charged Cations with Neutral Molecules. CHEMISTRY-A EUROPEAN JOURNAL , 19 (33) 10965 - 10970. 10.1002/chem.201301861. Green open access

Fletcher, JD; Parkes, MA; Price, SD; (2013) Electron ionisation of sulfur dioxide. J Chem Phys , 138 (18) 184309-. 10.1063/1.4803673.

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.

Forde, MM; Armstrong, RD; Hammond, C; He, Q; Jenkins, RL; Kondrat, SA; Dimitratos, N; (2013) Partial oxidation of ethane to oxygenates using Fe- and Cu-containing ZSM-5. J Am Chem Soc , 135 (30) pp. 11087-11099. 10.1021/ja403060n.

Foster, RW; Tame, CJ; Hailes, HC; Sheppard, TD; (2013) Highly Regioselective Synthesis of Substituted Isoindolinones via Ruthenium-Catalyzed Alkyne Cyclotrimerizations. Advanced Synthesis & Catalysis , 355 (11-12) 2353 -2360. 10.1002/adsc.201300055. Green open access


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.

Gao, M; Gu, J; Pan, H; Wang, Y; Liu, Y; Liang, C; Guo, Z; (2013) Ca(BH4)(2)-LiBH4-MgH2: a novel ternary hydrogen storage system with superior long-term cycling performance. JOURNAL OF MATERIALS CHEMISTRY A , 1 (39) pp. 12285-12292. 10.1039/c3ta12472j.

Gercsi, Z; Delczeg-Czirjak, EK; Vitos, L; Wills, AS; Daoud-Aladine, A; Sandeman, KG; (2013) Magnetoelastic effects in doped Fe2P. PHYSICAL REVIEW B , 88 (2) 10.1103/PhysRevB.88.024417.

Gerrer, L; Ling, S; Amoroso, SM; Asenov, P; Shluger, AL; Asenov, A; (2013) From atoms to product reliability: toward a generalized multiscale simulation approach. JOURNAL OF COMPUTATIONAL ELECTRONICS , 12 (4) pp. 638-650. 10.1007/s10825-013-0513-4.

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.

Ghosh, S; Hogarth, G; Hollingsworth, N; Holt, KB; Richards, I; Richmond, MG; Sanchez, BE; (2013) Models of the iron-only hydrogenase: a comparison of chelate and bridge isomers of Fe2(CO)4{Ph2PN(R)PPh2}(μ-pdt) as proton-reduction catalysts. Dalton Trans , 42 (19) pp. 6775-6792. 10.1039/c3dt50147g.

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.

Gill, MR; Cecchin, D; Walker, MG; Mulla, RS; Battaglia, G; Smythe, C; Thomas, JA; (2013) Targeting the endoplasmic reticulum with a membrane-interactive luminescent ruthenium(ii) polypyridyl complex†Electronic supplementary information (ESI) available: Experimental details, characterization of 2 and Fig. S1-S6. See DOI: 10.1039/c3sc51725jClick here for additional data file. Chem Sci , 4 (12) pp. 4512-4519. 10.1039/c3sc51725j.

Goel, A; Kapoor, S; Tilocca, A; Rajagopal, RR; Ferreira, JMF; (2013) Structural role of zinc in biodegradation of alkali-free bioactive glasses. JOURNAL OF MATERIALS CHEMISTRY B , 1 (24) pp. 3073-3082. 10.1039/c3tb20163e.

Grinter, DC; Yim, C-M; Pang, CL; Santos, B; Mentes, TO; Locatelli, A; Thornton, G; (2013) Oxidation State Imaging of Ceria Island Growth on Re(0001). JOURNAL OF PHYSICAL CHEMISTRY C , 117 (32) pp. 16509-16514. 10.1021/jp405887h.

Groen, D; Borgdorff, J; Bona-Casas, C; Hetherington, J; Nash, RW; Zasada, SJ; Saverchenko, I; (2013) Flexible composition and execution of high performance, high fidelity multiscale biomedical simulations. Interface Focus , 3 (2) , Article 20120087. 10.1098/rsfs.2012.0087. Green open access

Groen, D; Hetherington, J; Carver, HB; Nash, RW; Bernabeu, MO; Coveney, PV; (2013) Analysing and modelling the performance of the HemeLB lattice-Boltzmann simulation environment. Journal of Computational Science , 4 (5) 412 -422. 10.1016/j.jocs.2013.03.002. Green open access

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, RI; Tighe, CJ; Darr, JA; (2013) Scaling-up a Confined Jet Reactor for the Continuous Hydrothermal Manufacture of Nanomaterials. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH , 52 (15) pp. 5270-5281. 10.1021/ie302567d.

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

Gu, J; Gao, M; Pan, H; Liu, Y; Li, B; Yang, Y; Liang, C; (2013) Improved hydrogen storage performance of Ca(BH4)(2): a synergetic effect of porous morphology and in situ formed TiO2. ENERGY & ENVIRONMENTAL SCIENCE , 6 (3) pp. 847-858. 10.1039/c2ee24121h.

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.


Haider, S; Di Tommaso, D; de Leeuw, NH; (2013) Density functional theory simulations of the structure, stability and dynamics of iron sulphide clusters in water. Phys Chem Chem Phys , 15 (12) pp. 4310-4319. 10.1039/c3cp43560a.

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.

Hashem, E; Swinburne, AN; Schulzke, C; Evans, RC; Platts, JA; Kerridge, A; Natrajan, LS; (2013) Emission spectroscopy of uranium(IV) compounds: a combined synthetic, spectroscopic and computational study. RSC ADVANCES , 3 (13) pp. 4350-4361. 10.1039/c3ra22712j.

Hassan, IA; Ratnasothy, A; Bhachu, DS; Sathasivam, S; Carmalt, CJ; (2013) The Effect of Solvent on the Morphology of Indium Oxide Deposited by Aerosol-assisted Chemical Vapour Deposition. AUSTRALIAN JOURNAL OF CHEMISTRY , 66 (10) pp. 1274-1280. 10.1071/CH13226.

He, Q; Miedziak, PJ; Kesavan, L; Dimitratos, N; Sankar, M; Lopez-Sanchez, JA; Forde, MM; (2013) Switching-off toluene formation in the solvent-free oxidation of benzyl alcohol using supported trimetallic Au-Pd-Pt nanoparticles. Faraday Discuss , 162 pp. 365-378.

Henrich, O; Stratford, K; Coveney, PV; Cates, ME; Marenduzzo, D; (2013) Rheology of cubic blue phases. SOFT MATTER , 9 (43) pp. 10243-10256. 10.1039/c3sm50228g.

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

Hossain, MI; Ghosh, S; Hogarth, G; Kabir, SE; (2013) Reactions of M-2(CO)(9)L (M = Re, Mn; L = CO, MeCN) with thioacetamide and thiobenzamide: Facile metal-mediated nitrogen-hydrogen bond activation and subsequent carbon-nitrogen or sulfur-sulfur bond formation. JOURNAL OF ORGANOMETALLIC CHEMISTRY , 737 pp. 53-58. 10.1016/j.jorganchem.2013.03.011.

Howorka, S; (2013) DNA nanoarchitectonics: assembled DNA at interfaces. Langmuir , 29 (24) pp. 7344-7353. 10.1021/la3045785.

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.

Hunter, P; Chapman, T; Coveney, PV; de Bono, B; Diaz, V; Fenner, J; Frangi, AF; (2013) A vision and strategy for the virtual physiological human: 2012 update. Interface Focus , 3 (2) 20130004-. 10.1098/rsfs.2013.0004.


Iqbal, Z; Li, M; McKendry, R; Horton, M; Caruana, DJ; (2013) Investigation of Sickle-Cell Haemoglobin Polymerisation under Electrochemical Control. Chemphyschem , 14 (10) pp. 2143-2148. 10.1002/cphc.201300203. Green open access

Irrera, S; Portalone, G; De Leeuw, NH; (2013) Chemisorption of uracil on gold surfaces via density functional theory. SURFACE SCIENCE , 614 pp. 20-23. 10.1016/j.susc.2013.03.006.

Irrera, S; Roldan, A; Portalone, G; De Leeuw, NH; (2013) The Role of Hydrogen Bonding and Proton Transfer in the Formation of Uracil Networks on the Gold (100) Surface: A Density Functional Theory Approach. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (8) pp. 3949-3957. 10.1021/jp3094353.

Ishikawa, S; Sheppard, TD; D'Oyley, JM; Kamimura, A; Motherwell, WB; (2013) A rapid route to aminocyclopropanes via carbamatoorganozinc carbenoids. Angewandte Chemie , 52 (38) pp. 10060-10063. 10.1002/anie.201304720. Green open access

Ishiyama, T; Rieder, S; Makino, J; Portegies Zwart, S; Groen, D; Nitadori, K; De Laat, C; (2013) The cosmogrid simulation: Statistical properties of small dark matter halos. Astrophysical Journal , 767 (2) 10.1088/0004-637X/767/2/146.

Islam, H-U; Roffey, A; Hollingsworth, N; Catlow, R; Wolthers, M; De Leeuw, N; Bras, W; (2013) In Situ XAS of the Solvothermal Decomposition of Dithiocarbamate Complexes. In: Gold open access

Islam, S; Aguilar, JA; Powner, MW; Nilsson, M; Morris, GA; Sutherland, JD; (2013) Detection of potential TNA and RNA nucleoside precursors in a prebiotic mixture by pure shift diffusion-ordered NMR spectroscopy. Chemistry , 19 (14) pp. 4586-4595. 10.1002/chem.201202649.

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.

Ismail, SZ; Anderton, CL; Copley, RCB; Price, LS; Price, SL; (2013) Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening. CRYSTAL GROWTH & DESIGN , 13 (6) pp. 2396-2406. 10.1021/cg400090r.

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


Jacques, SD; Di Michiel, M; Kimber, SA; Yang, X; Cernik, RJ; Beale, AM; Billinge, SJ; (2013) Pair distribution function computed tomography. Nat Commun , 4 2536-. 10.1038/ncomms3536.

Jones, MB; Gaunt, AJ; Gordon, JC; Kaltsoyannis, N; Neu, MP; Scott, BL; (2013) Uncovering f-element bonding differences and electronic structure in a series of 1:3 and 1:4 complexes with a diselenophosphinate ligand. CHEMICAL SCIENCE , 4 (3) pp. 1189-1203. 10.1039/c2sc21806b.

Jorge, AB; Martin, DJ; Dhanoa, MTS; Rahman, AS; Makwana, N; Tang, J; Sella, A; (2013) H-2 and O-2 Evolution from Water Half-Splitting Reactions by Graphitic Carbon Nitride Materials. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (14) pp. 7178-7185. 10.1021/jp4009338.

Juraszek, J; Saladino, G; van Erp, TS; Gervasio, FL; (2013) Efficient numerical reconstruction of protein folding kinetics with partial path sampling and pathlike variables. Phys Rev Lett , 110 (10) , Article 108106. 10.1103/PhysRevLett.110.108106. Green open access


Kafizas, A; A Parry, S; Chadwick, AV; Carmalt, CJ; Parkin, IP; (2013) An EXAFS study on the photo-assisted growth of silver nanoparticles on titanium dioxide thin-films and the identification of their photochromic states. Phys Chem Chem Phys , 15 (21) pp. 8254-8263. 10.1039/c3cp44513e.

Kafizas, A; Carmalt, CJ; Parkin, IP; (2013) CVD and precursor chemistry of transition metal nitrides. COORDINATION CHEMISTRY REVIEWS , 257 (13-14) pp. 2073-2119. 10.1016/j.ccr.2012.12.004.

Kafizas, A; Noor, N; Carmalt, CJ; Parkin, IP; (2013) TiO2-based transparent conducting oxides; the search for optimum electrical conductivity using a combinatorial approach. JOURNAL OF MATERIALS CHEMISTRY C , 1 (39) pp. 6335-6346. 10.1039/c3tc31472c.

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

Kaltsoyannis, N; (2013) Does covalency increase or decrease across the actinide series? Implications for minor actinide partitioning. Inorg Chem , 52 (7) pp. 3407-3413. 10.1021/ic3006025.

Keating, J; Sankar, G; Hyde, TI; Kohara, S; Ohara, K; (2013) Elucidation of structure and nature of the PdO-Pd transformation using in situ PDF and XAS techniques. Phys Chem Chem Phys , 15 (22) pp. 8555-8565. 10.1039/c3cp50600b.

Keating, PRL; Scanlon, DO; Watson, GW; (2013) Computational testing of trivalent dopants in CeO2 for improved high-kappa dielectric behaviour. JOURNAL OF MATERIALS CHEMISTRY C , 1 (6) pp. 1093-1098. 10.1039/c2tc00385f.

Kehoe, AB; Temple, DJ; Watson, GW; Scanlon, DO; (2013) Cu3MCh3 (M = Sb, Bi; Ch = S, Se) as candidate solar cell absorbers: insights from theory. Phys Chem Chem Phys , 15 (37) pp. 15477-15484. 10.1039/c3cp52482e.

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).

Kerridge, A; (2013) Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study. Dalton transactions , 42 (46) 16428 - 16436. 10.1039/c3dt52279b. Green open access

Kerridge, A; (2013) A RASSCF study of free base, magnesium and zinc porphyrins: accuracy versus efficiency. Phys Chem Chem Phys , 15 (6) pp. 2197-2209. 10.1039/c2cp43982d.

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, FD; Caddick, S; (2013) The triflic acid-mediated cyclisation of N-benzyl-cinnamamides. TETRAHEDRON , 69 (2) pp. 487-491. 10.1016/j.tet.2012.11.035.

King, FD; Caddick, S; (2013) The triflic acid-mediated cyclisation of N-benzylcinnamanilides. TETRAHEDRON , 69 (40) pp. 8592-8601. 10.1016/j.tet.2013.07.075.

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.

Kitching, H; Shiers, MJ; Kenyon, AJ; Parkin, IP; (2013) Self-assembly of metallic nanoparticles into one dimensional arrays. JOURNAL OF MATERIALS CHEMISTRY A , 1 (24) pp. 6985-6999. 10.1039/c3ta00089c.

Koennyu, B; Sadiq, SK; Turanyi, T; Hirmondo, R; Mueller, B; Kraeusslich, H-G; Coveney, PV; (2013) Gag-Pol Processing during HIV-1 Virion Maturation: A Systems Biology Approach. PLOS Computational Biology , 9 (6) , Article e1003103. 10.1371/journal.pcbi.1003103. Green open access

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

Krueger, T; Frijters, S; Gunther, F; Kaoui, B; Harting, J; (2013) Numerical simulations of complex fluid-fluid interface dynamics. EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS , 222 (1) pp. 177-198. 10.1140/epjst/e2013-01834-y.

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.

Kunze, MB; Wright, DW; Werbeck, ND; Kirkpatrick, J; Coveney, PV; Hansen, DF; (2013) Loop interactions and dynamics tune the enzymatic activity of the human histone deacetylase 8. J Am Chem Soc , 135 (47) 17862 - 17868. 10.1021/ja408184x. Green open access

Küfner, S; Furthmüller, J; Matthes, L; Fitzner, M; Bechstedt, F; (2013) Structural and electronic properties of α-tin nanocrystals from first principles. Physical Review B - Condensed Matter and Materials Physics , 87 (23) 10.1103/PhysRevB.87.235307.


Lanigan, RM; Sheppard, TD; (2013) Recent developments in amide synthesis: direct amidation of carboxylic acids and transamidation reactions. European Journal of Organic Chemistry , 2013 (33) 7453 - 7465. 10.1002/ejoc.201300573. Green open access

Lanigan, RM; Starkov, P; Sheppard, TD; (2013) Direct Synthesis of Amides from Carboxylic Acids and Amines Using B(OCH2CF3)3. The Journal of Organic Chemistry , 78 (9) 4512 - 4523. 10.1021/jo400509n. Green open access

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

Li, H; Chen, W; Wang, F; Sun, Q; Guo, ZX; Jia, Y; (2013) Tin clusters formed by fundamental units: a potential way to assemble tin nanowires. Phys Chem Chem Phys , 15 (6) pp. 1831-1836. 10.1039/c2cp42948a.

Li, X; Qiu, Y; Wang, S; Lu, S; Gruar, RI; Zhang, X; Darr, JA; (2013) Electrophoretically deposited TiO2 compact layers using aqueous suspension for dye-sensitized solar cells. Phys Chem Chem Phys , 15 (35) pp. 14729-14735. 10.1039/c3cp51705e.

Ling, S; El-Sayed, A-M; Lopez-Gejo, F; Watkins, MB; Afanas'ev, VV; Shluger, AL; (2013) A computational study of Si-H bonds as precursors for neutral E ' centres in amorphous silica and at the Si/SiO2 interface. MICROELECTRONIC ENGINEERING , 109 310 - 313. 10.1016/j.mee.2013.03.028. Green open access

Ling, S; Schumacher, S; Galbraith, I; Paterson, MJ; (2013) Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (13) pp. 6889-6895. 10.1021/jp401359a.

Ling, S; Watkins, MB; Shluger, AL; (2013) Effects of Oxide Roughness at Metal Oxide Interface: MgO on Ag(001). Journal of Physical Chemistry C , 117 (10) pp. 5075-5083. 10.1021/jp311141k. Green open access

Ling, S; Watkins, MB; Shluger, AL; (2013) Effects of atomic scale roughness at metal/insulator interfaces on metal work function. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 15 (45) 19615 - 19624. 10.1039/c3cp53590h. 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.

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 (Oxf) , 62 (1) pp. 109-146. 10.1093/jmicro/dfs098.

Logsdail, AJ; Johnston, RL; Akola, J; (2013) Improving the Adsorption of Au Atoms and Nanoparticles on Graphite via Li Intercalation. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (44) pp. 22683-22695. 10.1021/jp405670v.

Logsdail, AJ; Li, ZY; Johnston, RL; (2013) Faceting preferences for Au(N) and Pd(N) nanoclusters with high-symmetry motifs. Phys Chem Chem Phys , 15 (21) pp. 8392-8400. 10.1039/c3cp50978h.

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.

Madsen, J; Canton, I; Warren, NJ; Themistou, E; Blanazs, A; Ustbas, B; Tian, X; (2013) Nile Blue-based nanosized pH sensors for simultaneous far-red and near-infrared live bioimaging. J Am Chem Soc , 135 (39) pp. 14863-14870. 10.1021/ja407380t.

Maharaj, L; Marson, CM; Middleton, BJ; Rioja, AS; Perry, J; Oakervee, H; Cavenagh, J; (2013) The histone deacetylase inhibitor UCL67022 has potent activity in multiple myeloma and non-Hodgkin lymphoma pre-clinical models. Br J Haematol , 163 (1) pp. 135-139. 10.1111/bjh.12456.

Malik, J; Tilocca, A; (2013) Hydration effects on the structural and vibrational properties of yttrium aluminosilicate glasses for in situ radiotherapy. J Phys Chem B , 117 (46) pp. 14518-14528. 10.1021/jp4073203.

Maliyekkal, SM; Sreeprasad, TS; Krishnan, D; Kouser, S; Mishra, AK; Waghmare, UV; Pradeep, T; (2013) Graphene: A reusable substrate for unprecedented adsorption of pesticides. Small , 9 (2) pp. 273-283. 10.1002/smll.201201125.

Mansor, N; Gibbs, C; Jervis, R; Brett, DJL; Jorge, AB; Corà, F; McMillan, PF; (2013) Development of graphitic-carbon nitride materials as catalyst supports for polymer electrolyte fuel cells. ECS Transactions , 58 (1) 1767 - 1778. 10.1149/05801.1767ecst.

Marchand, P; Carmalt, CJ; (2013) Molecular precursor approach to metal oxide and pnictide thin films. COORDINATION CHEMISTRY REVIEWS , 257 (23-24) 3202 - 3221. 10.1016/j.ccr.2013.01.030. Green open access

Marchand, P; Hassan, IA; Parkin, IP; Carmalt, CJ; (2013) Aerosol-assisted delivery of precursors for chemical vapour deposition: expanding the scope of CVD for materials fabrication. Dalton Trans , 42 (26) pp. 9406-9422. 10.1039/c3dt50607j.

Marson, CM; Matthews, CJ; Yiannaki, E; Atkinson, SJ; Soden, PE; Shukla, L; Lamadema, N; (2013) Discovery of potent, isoform-selective inhibitors of histone deacetylase containing chiral heterocyclic capping groups and a N-(2-aminophenyl)benzamide binding unit. J Med Chem , 56 (15) pp. 6156-6174. 10.1021/jm400634n.

UNSPECIFIED (Ed). (2013) Facet engineered Ag3PO4 for efficient water photooxidation. [Whole issue]. ENERGY & ENVIRONMENTAL SCIENCE , 6 (11).

Martis, M; Mori, K; Kato, K; Sankar, G; Yamashita, H; (2013) What are the active species in the photoinduced H2 production with terpyridyl Pt(II) complexes? An investigation by in situ XAFS. Chemphyschem , 14 (6) pp. 1122-1125. 10.1002/cphc.201201093.

Martis, M; Smith, AJ; Tang, C; Parker, JE; Hyde, TI; Watson, MJ; Baucherel, X; (2013) Tracking the structural changes in pure and heteroatom substituted aluminophosphate, AIPO-18, using synchrotron based X-ray diffraction techniques. Phys Chem Chem Phys , 15 (28) pp. 11766-11774. 10.1039/c3cp00015j.

Martis, V; Oldman, R; Anderson, R; Fowles, M; Hyde, T; Smith, R; Nikitenko, S; (2013) Structure and speciation of chromium ions in chromium doped Fe2O3 catalysts. Phys Chem Chem Phys , 15 (1) pp. 168-175. 10.1039/c2cp43307a.

Matharu, J; Cabailh, G; Thornton, G; (2013) Synthesis of TiO2(110) ultra-thin films on W(100) and their reactions with H2O. SURFACE SCIENCE , 616 198 - 205. 10.1016/j.susc.2013.05.020. Green open access

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


Meager, I; Ashraf, RS; Mollinger, S; Schroeder, BC; Bronstein, H; Beatrup, D; Vezie, MS; (2013) Photocurrent enhancement from diketopyrrolopyrrole polymer solar cells through alkyl-chain branching point manipulation. J Am Chem Soc , 135 (31) pp. 11537-11540. 10.1021/ja406934j.

Meager, I; Ashraf, RS; Rossbauer, S; Bronstein, H; Donaghey, JE; Marshall, J; Schroeder, BC; (2013) Alkyl Chain Extension as a Route to Novel Thieno[3,2-b]thiophene Flanked Diketopyrrolopyrrole Polymers for Use in Organic Solar Cells and Field Effect Transistors. MACROMOLECULES , 46 (15) pp. 5961-5967. 10.1021/ma401128s.

Meersman, F; Daniel, I; Bartlett, DH; Winter, R; Hazael, R; McMillan, PF; (2013) High-pressure biochemistry and biophysics. Reviews in Mineralogy and Geochemistry , 75 pp. 607-648. 10.2138/rmg.2013.75.19.

Mellan, TA; Maenetja, KP; Ngoepe, PE; Woodley, SM; Catlow, CRA; Grau-Crespo, R; (2013) Lithium and oxygen adsorption at the beta-MnO2 (110) surface. JOURNAL OF MATERIALS CHEMISTRY A , 1 (47) 14879 - 14887. 10.1039/c3ta13559d. Green open access

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

Moczko, E; Poma, A; Guerreiro, A; Perez de Vargas Sansalvador, I; Caygill, S; Canfarotta, F; Whitcombe, MJ; (2013) Surface-modified multifunctional MIP nanoparticles. Nanoscale , 5 (9) pp. 3733-3741. 10.1039/c3nr00354j.

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

Moody, P; Burlina, F; Martin, SR; Morgan, RE; Offer, J; Smith, ME; Molloy, JE; (2013) Evaluating the use of Apo-neocarzinostatin as a cell penetrating protein. Protein Engineering, Design and Selection , 26 (4) 277 - 281. 10.1093/protein/gzs104. Green open access

Mooney, CRS; Horke, DA; Chatterley, AS; Simperler, A; Fielding, HH; Verlet, JRR; (2013) Taking the green fluorescence out of the protein: dynamics of the isolated GFP chromophore anion. CHEMICAL SCIENCE , 4 (3) pp. 921-927. 10.1039/c2sc21737f.

Moore, G; Dunnill, CW; Wilson, AP; (2013) The effect of glove material upon the transfer of methicillin-resistant Staphylococcus aureus to and from a gloved hand. Am J Infect Control , 41 (1) pp. 19-23. 10.1016/j.ajic.2012.03.017.

Morozov, YG; Ortega, D; Belousova, OV; Parkin, IP; Kuznetsov, MV; (2013) Some peculiarities in the magnetic behavior of aerosol generated NiO nanoparticles. JOURNAL OF ALLOYS AND COMPOUNDS , 572 pp. 150-157. 10.1016/j.jallcom.2013.03.260.

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.

Mountain, AR; Kaltsoyannis, N; (2013) Do QTAIM metrics correlate with the strength of heavy element-ligand bonds? Dalton Trans , 42 (37) pp. 13477-13486. 10.1039/c3dt51337h.


Naeem, S; Ribes, A; White, AJ; Haque, MN; Holt, KB; Wilton-Ely, JD; (2013) Multimetallic complexes and functionalized nanoparticles based on oxygen- and nitrogen-donor combinations. Inorg Chem , 52 (8) pp. 4700-4713. 10.1021/ic400335y.

Naik, AJT; Warwick, MEA; Moniz, SJA; Blackman, CS; Parkin, IP; Binions, R; (2013) Nanostructured tungsten oxide gas sensors prepared by electric field assisted aerosol assisted chemical vapour deposition. JOURNAL OF MATERIALS CHEMISTRY A , 1 (5) pp. 1827-1833. 10.1039/c2ta01126c.

Nathani, RI; Chudasama, V; Ryan, CP; Moody, PR; Morgan, RE; Fitzmaurice, RJ; Smith, ME; (2013) Reversible protein affinity-labelling using bromomaleimide-based reagents. Organic & Biomolecular Chemistry , 11 (15) 2408 -2411. 10.1039/c3ob40239h. Green open access

Nathani, RI; Moody, P; Chudasama, V; Smith, MEB; Fitzmaurice, RJ; Caddick, S; (2013) A novel approach to the site-selective dual labelling of a protein via chemoselective cysteine modification. Chemical Science , 4 (9) pp. 3455-3458. 10.1039/C3SC51333E. Green open access

Noble, A; Anderson, JC; (2013) Nitro-Mannich reaction. Chemical Reviews , 113 (5) 2887 - 2939. 10.1021/cr300272t. Green open access

Noimark, S; Bovis, M; MacRobert, AJ; Correia, A; Allan, E; Wilson, M; Parkin, IP; (2013) Photobactericidal polymers; the incorporation of crystal violet and nanogold into medical grade silicone. RSC ADVANCES , 3 (40) pp. 18383-18394. 10.1039/c3ra42629g.

Noimark, S; Dunnill, CW; Parkin, IP; (2013) Shining light on materials--a self-sterilising revolution. Adv Drug Deliv Rev , 65 (4) pp. 570-580. 10.1016/j.addr.2012.07.003.

Noor, N; Parkin, IP; (2013) Enhanced transparent-conducting fluorine-doped tin oxide films formed by Aerosol-Assisted Chemical Vapour Deposition. JOURNAL OF MATERIALS CHEMISTRY C , 1 (5) pp. 984-996. 10.1039/c2tc00400c.

Noor, N; Parkin, IP; (2013) Halide doping effects on transparent conducting oxides formed by aerosol assisted chemical vapour deposition. THIN SOLID FILMS , 532 26 - 30. 10.1016/j.tsf.2012.10.110. Green open access

Nunes, JPM; Afonso, CAM; Caddick, S; (2013) Synthesis of 2,4-bifunctionalised cyclopentenones from 2-furaldehyde. RSC ADVANCES , 3 (35) pp. 14975-14978. 10.1039/c3ra42663g.


O'Keeffe, C; Gannon, P; Gilson, P; Kafizas, A; Parkin, IP; Binions, R; (2013) Air purification by heterogeneous photocatalytic oxidation with multi-doped thin film titanium dioxide. THIN SOLID FILMS , 537 pp. 131-136. 10.1016/j.tsf.2013.04.016.

O'Malley, AJ; Catlow, CR; (2013) Molecular dynamics simulations of longer n-alkanes in silicalite: a comparison of framework and hydrocarbon models. Phys Chem Chem Phys , 15 (43) pp. 19024-19030. 10.1039/c3cp52653d.

Ortega, D; Kuznetsov, MV; Morozov, YG; Belousova, OV; Parkin, IP; (2013) Phase, size and shape controlled formation of aerosol generated nickel and nickel oxide nanoparticles. JOURNAL OF ALLOYS AND COMPOUNDS , 579 pp. 495-501. 10.1016/j.jallcom.2013.06.128.

Ortega, D; Kuznetsov, MV; Morozov, YG; Belousova, OV; Parkin, IP; (2013) Thermal relaxation and collective dynamics of interacting aerosol-generated hexagonal NiFe2O4 nanoparticles. Phys Chem Chem Phys , 15 (48) pp. 20830-20838. 10.1039/c3cp53981d.

Ostovar, M; Marson, CM; (2013) Enynone dihydroxylation-cyclisation as a route to densely functionalised 3(2H)-furanone derivatives: an approach to the core of the zaragozic acids. TETRAHEDRON , 69 (32) pp. 6639-6647. 10.1016/j.tet.2013.05.125.


Pang, CL; Grinter, DC; Matharu, J; Thornton, G; (2013) A Scanning Tunneling Microscopy Study of Ultrathin Film Rutile TiO2(110) Supported on W(100)-O(2 x 1). JOURNAL OF PHYSICAL CHEMISTRY C , 117 (48) pp. 25622-25627. 10.1021/jp409948u.

Pang, CL; Lindsay, R; Thornton, G; (2013) Structure of clean and adsorbate-covered single-crystal rutile TiO2 surfaces. Chem Rev , 113 (6) pp. 3887-3948. 10.1021/cr300409r.

Pang, R; Guo, M; Ling, S; Lin, Z; (2013) Thorough theoretical search of conformations of neutral, protonated and deprotonated glutamine in gas phase. COMPUTATIONAL AND THEORETICAL CHEMISTRY , 1020 pp. 14-21. 10.1016/j.comptc.2013.07.016.

Parkes, MA; Lockyear, JF; Price, SD; (2013) Reactions of O22+ with CO2, OCS and CS2. International Journal of Mass Spectrometry , 354-35 pp. 39-45. 10.1016/j.ijms.2013.06.018. Green open access

Paszkowicz, W; Woodley, SM; Piszora, P; Bojanowski, B; Pietosa, J; Cerenius, Y; Carlson, S; (2013) Equation of state of CaMnO3: a combined experimental and computational study. Applied Physics A: Materials Science & Processing , 112 (4) 839 - 845. 10.1007/s00339-013-7577-7. Green open access

Patel, AN; Tan, S-Y; Miller, TS; Macpherson, JV; Unwin, PR; (2013) Comparison and Reappraisal of Carbon Electrodes for the Voltammetric Detection of Dopamine. Analytical Chemistry , 85 (24) pp. 11755-11764. 10.1021/ac401969q.

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.

Pearson, RT; Warren, NJ; Lewis, AL; Armes, SP; Battaglia, G; (2013) Effect of pH and Temperature on PMPC-PDPA Copolymer Self-Assembly. MACROMOLECULES , 46 (4) pp. 1400-1407. 10.1021/ma302228m.

Peeters, A; Valvekens, P; Ameloot, R; Sankar, G; Kirschhock, CEA; De Vos, DE; (2013) Zn-Co Double Metal Cyanides as Heterogeneous Catalysts for Hydroamination: A Structure-Activity Relationship. ACS CATALYSIS , 3 (4) pp. 597-607. 10.1021/cs300805z.

Pegoraro, C; Cecchin, D; Gracia, LS; Warren, N; Madsen, J; Armes, SP; Lewis, A; (2013) Enhanced drug delivery to melanoma cells using PMPC-PDPA polymersomes. Cancer Letters , 334 (2) pp. 328-337. 10.1016/j.canlet.2013.02.007.

Pegoraro, C; Cecchin, D; Gracia, LS; Warren, N; Madsen, J; Armes, SP; Lewis, A; (2013) Enhanced drug delivery to melanoma cells using PMPC-PDPA polymersomes. Cancer Lett , 334 (2) pp. 328-337. 10.1016/j.canlet.2013.02.007.

Peneau, V; He, Q; Shaw, G; Kondrat, SA; Davies, TE; Miedziak, P; Forde, M; (2013) Selective catalytic oxidation using supported gold-platinum and palladium-platinum nanoalloys prepared by sol-immobilisation. Phys Chem Chem Phys , 15 (26) pp. 10636-10644. 10.1039/c3cp50361e.

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.

Peveler, WJ; Binions, R; Hailes, SMV; Parkin, IP; (2013) Detection of explosive markers using zeolite modified gas sensors. JOURNAL OF MATERIALS CHEMISTRY A , 1 (7) 2613 - 2620. 10.1039/c2ta01027e. Green open access

Peveler, WJ; Parkin, IP; (2013) Rapid Synthesis of Gold Nanostructures with Cyclic and Linear Ketones. Royal Society of Chemistry Advances , 3 , Article 21919. 10.1039/c3ra44842h. Green open access

Piccirillo, C; Dunnill, CW; Pullar, RC; Tobaldi, DM; Labrincha, JA; Parkin, IP; Pintado, MM; (2013) Calcium phosphate-based materials of natural origin showing photocatalytic activity. JOURNAL OF MATERIALS CHEMISTRY A , 1 (21) pp. 6452-6461. 10.1039/c3ta10673j.

Piper, LFJ; Quackenbush, NF; Sallis, S; Scanlon, DO; Watson, GW; Nam, KW; Yang, XQ; (2013) Elucidating the nature of pseudo Jahn-Teller distortions in Li xMnPO4: Combining density functional theory with soft and hard X-ray spectroscopy. Journal of Physical Chemistry C , 117 (20) pp. 10383-10396. 10.1021/jp3122374.

Poma, A; Guerreiro, A; Whitcombe, MJ; Piletska, EV; Turner, AP; Piletsky, SA; (2013) Solid-Phase Synthesis of Molecularly Imprinted Polymer Nanoparticles with a Reusable Template - "Plastic Antibodies". Adv Funct Mater , 23 (22) pp. 2821-2827. 10.1002/adfm.201202397.

Ponja, S; Sathasivam, S; Chadwick, N; Kafizas, A; Bawaked, SM; Obaid, AY; Al-Thabaiti, S; (2013) Aerosol assisted chemical vapour deposition of hydrophobic TiO2-SnO2 composite film with novel microstructure and enhanced photocatalytic activity. JOURNAL OF MATERIALS CHEMISTRY A , 1 (20) pp. 6271-6278. 10.1039/c3ta10845g.

Powell, MJ; Parkin, IP; (2013) Titania coated mica via chemical vapour deposition, post N-doped by liquid ammonia treatment. Presented at: UNSPECIFIED.

Prati, L; Villa, A; Campisi, S; Vindigni, F; Manzoli, M; Dimitratos, N; (2013) Support acid-base properties as a tool for directing selectivity in the Au-Pt catalyzed base-free glycerol oxidation. Engineering Sciences and Fundamentals 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future , 2 pp. 1083-1084.

Price, SL; (2013) Why don't we find more polymorphs? ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE , 69 (4) 313 - 328. 10.1107/S2052519213018861. Green open access

Pritchard, J; Piccinini, M; Tiruvalam, R; He, Q; Dimitratos, N; Lopez-Sanchez, JA; Morgan, DJ; (2013) Effect of heat treatment on Au-Pd catalysts synthesized by sol immobilisation for the direct synthesis of hydrogen peroxide and benzyl alcohol oxidation. CATALYSIS SCIENCE & TECHNOLOGY , 3 (2) pp. 308-317. 10.1039/c2cy20234d.

Prokopovich, P; Leech, R; Carmalt, CJ; Parkin, IP; Perni, S; (2013) A novel bone cement impregnated with silver-tiopronin nanoparticles: its antimicrobial, cytotoxic, and mechanical properties. Int J Nanomedicine , 8 pp. 2227-2237. 10.2147/IJN.S42822. Gold open access

Protchenko, AV; Schwarz, AD; Blake, MP; Jones, C; Kaltsoyannis, N; Mountford, P; Aldridge, S; (2013) A generic one-pot route to acyclic two-coordinate silylenes from silicon(IV) precursors: synthesis and structural characterization of a silylsilylene. Angew Chem Int Ed Engl , 52 (2) pp. 568-571. 10.1002/anie.201208554.


Quackenbush, NF; Allen, JP; Scanlon, DO; Sallis, S; Hewlett, JA; Nandur, AS; Chen, B; (2013) Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory. CHEMISTRY OF MATERIALS , 25 (15) pp. 3114-3123. 10.1021/cm401343a.

Quesada-Cabrera, R; Weng, X; Hyett, G; Clark, RJ; Wang, XZ; Darr, JA; (2013) High-throughput continuous hydrothermal synthesis of nanomaterials (part II): unveiling the as-prepared CexZryYzO2-δ phase diagram. ACS Comb Sci , 15 (9) pp. 458-463. 10.1021/co3001346.


Rabdel Ruiz-Salvador, A; Grau-Crespo, R; Gray, AE; Lewis, DW; (2013) Aluminium distribution in ZSM-5 revisited: The role of Al-Al interactions. JOURNAL OF SOLID STATE CHEMISTRY , 198 pp. 330-336. 10.1016/j.jssc.2012.10.022.

Rahaman, A; Alam, FR; Ghosh, S; Haukka, M; Kabir, SE; Nordlander, E; Hogarth, G; (2013) Generation of sigma,pi-furyl and thienyl ligands at di-iron centers via facile phosphorus-carbon bond cleavage: Synthesis and molecular structures of [Fe-2(CO)(6)(mu-eta(1),eta(2)-C4H3E){mu-P(C4H3E)(2)}] (E = O, S). JOURNAL OF ORGANOMETALLIC CHEMISTRY , 730 pp. 123-131. 10.1016/j.jorganchem.2012.11.024.

Rajpalke, MK; Linhart, WM; Birkett, M; Yu, KM; Scanlon, DO; Buckeridge, J; Jones, TS; (2013) Growth and properties of GaSbBi alloys. APPLIED PHYSICS LETTERS , 103 (14) 10.1063/1.4824077.

Rashid, AU; Southern, P; Darr, JA; Awan, S; Manzoor, S; (2013) Strontium hexaferrite (SrFe12O19) based composites for hyperthermia applications. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS , 344 pp. 134-139. 10.1016/j.jmmm.2013.05.048.

Ridley, F; Ghosh, S; Hogarth, G; Hollingsworth, N; Holt, KB; Unwin, DG; (2013) Fluorinated models of the iron-only hydrogenase: An electrochemical study of the influence of an electron-withdrawing bridge on the proton reduction overpotential and catalyst stability. Journal of Electroanalytical Chemistry , 703 14 - 22. 10.1016/j.jelechem.2013.05.018. Green open access

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.

Rives, S; Jobic, H; Beale, AM; Maurin, G; (2013) Diffusion of CH4, CO2, and Their Mixtures in AlPO4-5 Investigated by QENS Experiments and MD Simulations. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (26) pp. 13530-13539. 10.1021/jp4042827.

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

Roldan, A; Santos-Carballal, D; de Leeuw, NH; (2013) A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4. The Journal of Chemical Physics , 138 (20) , Article 204712. 10.1063/1.4807614. Green open access

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

Roupany, AJA; Baker, JR; (2013) Diverse products accessible via [2+2] photocycloadditions of 3-aminocyclopentenones. RSC ADVANCES , 3 (27) pp. 10650-10653. 10.1039/c3ra42106f.

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.

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.

Sahún-Roncero, M; Rubio-Ruiz, B; Saladino, G; Conejo-García, A; Espinosa, A; Velázquez-Campoy, A; Gervasio, FL; (2013) The mechanism of allosteric coupling in choline kinase α1 revealed by the action of a rationally designed inhibitor. Angew Chem Int Ed Engl , 52 (17) pp. 4582-4586. 10.1002/anie.201209660.

Salamat, A; Briggs, R; Bouvier, P; Petitgirard, S; Dewaele, A; Cutler, ME; Cora, F; (2013) High-pressure structural transformations of Sn up to 138 GPa: Angle-dispersive synchrotron x-ray diffraction study. PHYSICAL REVIEW B , 88 (10) 10.1103/PhysRevB.88.104104.

Salamat, A; Deifallah, M; Cabrera, RQ; Corà, F; McMillan, PF; (2013) Identification of new pillared-layered carbon nitride materials at high pressure. Scientific Reports , 3 , Article 2122. 10.1038/srep02122. Green open access

Salamat, A; Hector, AL; Gray, BM; Kimber, SAJ; Bouvier, P; McMillan, PF; (2013) Synthesis of tetragonal and orthorhombic polymorphs of Hf3N 4 by high-pressure annealing of a prestructured nanocrystalline precursor. Journal of the American Chemical Society , 135 (25) pp. 9503-9511. 10.1021/ja403368b.

Salamat, A; Hector, AL; Kroll, P; McMillan, PF; (2013) Nitrogen-rich transition metal nitrides. Coordination Chemistry Reviews , 257 (13-14) pp. 2063-2072. 10.1016/j.ccr.2013.01.010.

Salamat, A; McMillan, PF; Firth, S; Woodhead, K; Hector, AL; Garbarino, G; Stennett, MC; (2013) Structural transformations and disordering in zirconolite (CaZrTi 2O7) at high pressure. Inorganic Chemistry , 52 (3) pp. 1550-1558. 10.1021/ic302346g.

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.

Sanchez-Vazquez, SA; Hailes, HC; Evans, JRG; (2013) Hydrophobic Polymers from Food Waste: Resources and Synthesis. POLYMER REVIEWS , 53 (4) 627 - 694. 10.1080/15583724.2013.834933. Green open access

Sander, JRG; Bučar, DK; Henry, RF; Giangiorgi, BN; Zhang, GGZ; MacGillivray, LR; (2013) 'Masked synthons' in crystal engineering: Insulated components in acetaminophen cocrystal hydrates. CrystEngComm , 15 (24) pp. 4816-4822. 10.1039/c3ce40159f.

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.

Santra, B; Klimes, J; Tkatchenko, A; Alfè, D; Slater, B; Michaelides, A; Car, R; (2013) On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures. The Journal of Chemical Physics , 139 (15) , Article 154702. 10.1063/1.4824481. Green open access

Sassmannshausen, J; Klett, J; Kennedy, AR; Parkinson, JA; Armstrong, D; (2013) Taming the shrew: [TMEDALi-Zn(C2H4)(2)L] as a model compound for anionic ethene polymerisation. NEW JOURNAL OF CHEMISTRY , 37 (2) pp. 494-501. 10.1039/c2nj40874k.

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).

Sayers, R; Schiffmann, F; Fearn, S; Kilner, JA; Slater, B; Romani, S; Tatham, DJ; (2013) Internal Activation Strain and Oxygen Mobility in a Thermally Stable Layered Fe3+ Oxide. CHEMISTRY OF MATERIALS , 25 (17) pp. 3441-3457. 10.1021/cm4013359.

Scanlon, DO; Dunnill, CW; Buckeridge, J; Shevlin, SA; Logsdail, AJ; Woodley, SM; Catlow, CR; (2013) Band alignment of rutile and anatase TiO₂. Nat Mater , 12 (9) pp. 798-801. 10.1038/nmat3697.

Scanlon, DO; Dunnill, CW; Buckeridge, J; Shevlin, SA; Logsdail, AJ; Woodley, SM; Catlow, CRA; (2013) Band alignment of rutile and anatase TiO<inf>2</inf>. Nature Materials , 12 (9) pp. 798-801. 10.1038/nmat3697.

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.

Schrewe, M; Ladkau, N; Bühler, B; Schmid, A; (2013) Direct Terminal Alkylamino-Functionalization via Multistep Biocatalysis in One Recombinant Whole-Cell Catalyst. Advanced Synthesis & Catalysis , 355 (9) pp. 1693-1697. 10.1002/adsc.201200958.

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

Schumacher, FF; Sanchania, VA; Tolner, B; Wright, ZV; Ryan, CP; Smith, ME; Ward, JM; (2013) Homogeneous antibody fragment conjugation by disulfide bridging introduces 'spinostics'. [Magazine_article]. Scientific Reports , 3 , Article 1525. 10.1038/srep01525. Green open access

Sehl, T; Hailes, HC; Ward, JM; Wardenga, R; von Lieres, E; Offermann, H; Westphal, R; (2013) Two steps in one pot: enzyme cascade for the synthesis of nor(pseudo)ephedrine from inexpensive starting materials. Angew Chem Int Ed Engl , 52 (26) pp. 6772-6775. 10.1002/anie.201300718.

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.

Shephard, JJ; Evans, JSO; Salzmann, CG; (2013) Structural Relaxation of Low-Density Amorphous Ice upon Thermal Annealing. JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 4 (21) pp. 3672-3676. 10.1021/jz4020103.

Shevlin, SA; Guo, ZX; (2013) MgH2 Dehydrogenation Thermodynamics: Nanostructuring and Transition Metal Doping. The Journal of Physical Chemistry C , 117 (21) pp. 10883-10891. 10.1021/jp3117648. Green open access

Shi, L; Naik, AJT; Goodall, JBM; Tighe, C; Gruar, R; Binions, R; Parkin, I; (2013) Highly sensitive ZnO nanorod- and nanoprism-based NO<inf>2</inf> gas sensors: Size and shape control using a continuous hydrothermal pilot plant. Langmuir , 29 (33) pp. 10603-10609. 10.1021/la402339m.

Shublaq, N; Sansom, C; Coveney, PV; (2013) Patient-specific modelling in drug design, development and selection including its role in clinical decision-making. Chem Biol Drug Des , 81 (1) pp. 5-12. 10.1111/j.1747-0285.2012.01444.x.

Sialvi, MZ; Mortimer, RJ; Wilcox, GD; Teridi, AM; Varley, TS; Wijayantha, KG; Kirk, CA; (2013) Electrochromic and colorimetric properties of nickel(II) oxide thin films prepared by aerosol-assisted chemical vapor deposition. ACS Appl Mater Interfaces , 5 (12) pp. 5675-5682. 10.1021/am401025v.

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; Cho, H; Low, J; Bronstein, H; McCulloch, I; Durrant, JR; (2013) Correlating triplet yield, singlet oxygen generation and photochemical stability in polymer/fullerene blend films. Chem Commun (Camb) , 49 (13) pp. 1291-1293. 10.1039/c2cc38243a.

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

Srinivas, G; Travis, W; Ford, J; Wu, H; Guo, Z-X; Yildirim, T; (2013) Nanoconfined ammonia borane in a flexible metal-organic framework Fe-MIL-53: clean hydrogen release with fast kinetics. JOURNAL OF MATERIALS CHEMISTRY A , 1 (13) pp. 4167-4172. 10.1039/c3ta00037k.

Subrahmanyam, S; Guerreiro, A; Poma, A; Moczko, E; Piletska, E; Piletsky, S; (2013) Optimisation of experimental conditions for synthesis of high affinity MIP nanoparticles. EUROPEAN POLYMER JOURNAL , 49 (1) pp. 100-105. 10.1016/j.eurpolymj.2012.09.022.

Sugden, IJ; Plant, DF; Bell, RG; (2013) Thermal rearrangement mechanisms in icosahedral carboranes and metallocarboranes. Chem Commun (Camb) , 49 (10) pp. 975-977. 10.1039/c2cc37520f.

Sutto, L; Gervasio, FL; (2013) Effects of oncogenic mutations on the conformational free-energy landscape of EGFR kinase. Proc Natl Acad Sci U S A , 110 (26) pp. 10616-10621. 10.1073/pnas.1221953110.

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

Swadling, JB; Suter, JL; Greenwell, HC; Coveney, PV; (2013) Influence of surface chemistry and charge on mineral-RNA interactions. Langmuir , 29 (5) pp. 1573-1583. 10.1021/la303352g.


Tahara, K; Inukai, K; Adisoejoso, J; Yamaga, H; Balandina, T; Blunt, MO; De Feyter, S; (2013) Tailoring surface-confined nanopores with photoresponsive groups. Angew Chem Int Ed Engl , 52 (32) pp. 8373-8376. 10.1002/anie.201303745.

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

Thomas, T; Blackman, CS; Parkin, IP; Carmalt, CJ; (2013) Atmospheric pressure chemical vapour deposition of vanadium arsenide thin films via the reaction of VCl4 or VOCl3 with (BuAsH2)-Bu-t. THIN SOLID FILMS , 537 pp. 171-175. 10.1016/j.tsf.2013.04.144.

Thomas, T; Blackman, CS; Parkin, IP; Carmalt, CJ; (2013) Atmospheric pressure chemical vapour deposition of vanadium arsenide thin films via the reaction of VCl4 or VOCl3 with tBuAsH2. Thin Solid Films , 537 pp. 171-175. 10.1016/j.tsf.2013.04.144.

Thornton, G; Woolcot, T; Hussain, H; Cabailh, G; Torrelles, X; Pang, C; Humphrey, D; (2013) Structure of the TiO2(110) interface with water. Presented at: UNSPECIFIED.

Tighe, CJ; Cabrera, RQ; Gruar, RI; Darr, JA; (2013) Scale Up Production of Nanoparticles: Continuous Supercritical Water Synthesis of Ce-Zn Oxides. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH , 52 (16) pp. 5522-5528. 10.1021/ie3025642.

Tilocca, A; (2013) Cooling rate and size effects on the medium-range structure of multicomponent oxide glasses simulated by molecular dynamics. J Chem Phys , 139 (11) 114501-. 10.1063/1.4821150.

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.

Torrisi, A; Bell, RG; Mellot-Draznieks, C; (2013) Predicting the impact of functionalized ligands on CO2 adsorption in MOFs: A combined DFT and Grand Canonical Monte Carlo study. MICROPOROUS AND MESOPOROUS MATERIALS , 168 pp. 225-238. 10.1016/j.micromeso.2012.10.002.

Tschulik, K; Palgrave, RG; Batchelor-McAuley, C; Compton, RG; (2013) 'Sticky electrodes' for the detection of silver nanoparticles. Nanotechnology , 24 (29) 295502-. 10.1088/0957-4484/24/29/295502.

Tummeltshammer, C; Brown, MS; Taylor, A; Kenyon, AJ; Papakonstantinou, I; (2013) Efficiency and loss mechanisms of plasmonic Luminescent Solar Concentrators. Optics Express , 21 (S5) A735 - A749. 10.1364/OE.21.00A735. Gold open access

Tuxen, A; Carenco, S; Chintapalli, M; Chuang, CH; Escudero, C; Pach, E; Jiang, P; (2013) Size-dependent dissociation of carbon monoxide on cobalt nanoparticles. J Am Chem Soc , 135 (6) pp. 2273-2278. 10.1021/ja3105889.


Uppal, MA; Kafizas, A; Ewing, MB; Parkin, IP; (2013) The room temperature formation of gold nanoparticles from the reaction of cyclohexanone and auric acid; a transition from dendritic particles to compact shapes and nanoplates. JOURNAL OF MATERIALS CHEMISTRY A , 1 (25) 7351 - 7359. 10.1039/c3ta11546a. Green open access


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.

Vallejos, S; Umek, P; Stoycheva, T; Annanouch, F; Llobet, E; Correig, X; De Marco, P; (2013) Single-Step Deposition of Au- and Pt-Nanoparticle-Functionalized Tungsten Oxide Nanoneedles Synthesized Via Aerosol-Assisted CVD, and Used for Fabrication of Selective Gas Microsensor Arrays. ADVANCED FUNCTIONAL MATERIALS , 23 (10) pp. 1313-1322. 10.1002/adfm.201201871.

Vollnhals, F; Woolcot, T; Walz, M-M; Seiler, S; Steinrueck, H-P; Thornton, G; Marbach, H; (2013) Electron Beam-Induced Writing of Nanoscale Iron Wires on a Functional Metal Oxide. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (34) 17674 - 17679. 10.1021/jp405640a. Green open access

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.


Wakerley, D; Güell, AG; Hutton, LA; Miller, TS; Bard, AJ; Macpherson, JV; (2013) Boron doped diamond ultramicroelectrodes: a generic platform for sensing single nanoparticle electrocatalytic collisions. Chemical Communications , 49 (50) p. 5657. 10.1039/c3cc42915f.

Walsh, A; Buckeridge, J; Catlow, CRA; Jackson, AJ; Keal, TW; Miskufova, M; Sherwood, P; (2013) Limits to Doping of Wide Band Gap Semiconductors. CHEMISTRY OF MATERIALS , 25 (15) 2924 - 2926. 10.1021/cm402237s. Green open access

Walsh, A; Kehoe, AB; Temple, DJ; Watson, GW; Scanlon, DO; (2013) PbO2: from semi-metal to transparent conducting oxide by defect chemistry control. Chem Commun (Camb) , 49 (5) pp. 448-450. 10.1039/c2cc35928f.

Walsh, A; Scanlon, DO; (2013) Electron excess in alkaline earth sub-nitrides: 2D electron gas or 3D electride? Journal of Materials Chemistry C , 1 (22) pp. 3525-3528. 10.1039/c3tc30690a.

Walsh, A; Scanlon, DO; (2013) Polymorphism of indium oxide: Materials physics of orthorhombic In 2O3. Physical Review B - Condensed Matter and Materials Physics , 88 (16) 10.1103/PhysRevB.88.161201.

Wang, C; Chen, HY; Bacsa, J; Catlow, CR; Xiao, J; (2013) Synthesis and X-ray structures of cyclometalated iridium complexes including the hydrides. Dalton Trans , 42 (4) pp. 935-940. 10.1039/c2dt31368e.

Wang, L; Wang, F; Yuan, P-F; Sun, Q; Liang, E-J; Jia, Y; Guo, Z-X; (2013) Negative thermal expansion correlated with polyhedral movements and distortions in orthorhombic Y2Mo3O12. MATERIALS RESEARCH BULLETIN , 48 (7) pp. 2724-2729. 10.1016/j.materresbull.2013.04.001.

Wang, L; Wang, F; Yuan, PF; Sun, Q; Liang, EJ; Jia, Y; Guo, ZX; (2013) Negative thermal expansion correlated with polyhedral movements and distortions in orthorhombic Y<inf>2</inf>Mo<inf>3</inf>O<inf>12</inf>. Materials Research Bulletin , 48 (7) pp. 2724-2729. 10.1016/j.materresbull.2013.04.001.

Wang, Z; Liu, Y; Martin, DJ; Wang, W; Tang, J; Huang, W; (2013) CuOx-TiO2 junction: what is the active component for photocatalytic H2 production? Phys Chem Chem Phys , 15 (36) pp. 14956-14960. 10.1039/c3cp52496e.

Warren, NJ; Armes, SP; Battaglia, G; Lewis, AL; Canton, I; (2013) Biocompatible pH responsive nanoparticles. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.

Wayakanon, K; Thornhill, MH; Douglas, CW; Lewis, AL; Warren, NJ; Pinnock, A; Armes, SP; (2013) Polymersome-mediated intracellular delivery of antibiotics to treat Porphyromonas gingivalis-infected oral epithelial cells. FASEB J , 27 (11) pp. 4455-4465. 10.1096/fj.12-225219.

Welser, K; Campbell, F; Kudsiova, L; Mohammadi, A; Dawson, N; Hart, SL; Barlow, DJ; (2013) Gene delivery using ternary lipopolyplexes incorporating branched cationic peptides: the role of Peptide sequence and branching. Mol Pharm , 10 (1) pp. 127-141. 10.1021/mp300187t.

Welser, K; Kudsiova, L; Campbell, F; Mohammadi, A; Dawson, N; Barlow, DJ; Hailes, HC; (2013) Tailoring Nanocomplexes for the Delivery of Plasmid DNA or siRNA: The Role of Cationic Peptide Sequence and Branching. In: BIOPOLYMERS. (pp. 267 - 267).

Whale, TF; Clark, SJ; Finney, JL; Salzmann, CG; (2013) DFT-assisted interpretation of the Raman spectra of hydrogen-ordered ice XV. JOURNAL OF RAMAN SPECTROSCOPY , 44 (2) pp. 290-298. 10.1002/jrs.4170.

Wilding, MC; Wilson, M; Benmore, CJ; Weber, JK; McMillan, PF; (2013) Structural changes in supercooled Al2O3-Y2O3 liquids. Phys Chem Chem Phys , 15 (22) pp. 8589-8605. 10.1039/c3cp51209f.

Wilkinson, M; Kafizas, A; Bawaked, SM; Obaid, AY; Al-Thabaiti, SA; Basahel, SN; Carmalt, CJ; (2013) Combinatorial atmospheric pressure chemical vapor deposition of graded TiO₂-VO₂ mixed-phase composites and their dual functional property as self-cleaning and photochromic window coatings. ACS Comb Sci , 15 (6) pp. 309-319. 10.1021/co400027p.

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

Wolthers, M; Di Tommaso, D; Du, Z; de Leeuw, NH; (2013) Variations in calcite growth kinetics with surface topography: molecular dynamics simulations and process-based growth kinetics modelling. CrystEngComm , 15 (27) pp. 5506-5514. 10.1039/C3CE40249E. Green open access

Wolthers, MVH; Wit, JC; de Nooijer, LJ; Reichart, GJ; (2013) A novel salinity proxy based on Na incorporation into foraminiferal calcite. Biogeosciences Discussions , 10 (3) pp. 6039-6063. 10.5194/bgd-10-6039-2013. Green open access

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

Woodley, SB; Sokol, AA; Catlow, CRA; Al-Sunaidi, AA; Woodley, SM; (2013) Structural and Optical Properties of Mg and Cd Doped ZnO Nanoclusters. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (51) 27127 - 27145. 10.1021/jp4084635. Green open access

Woodley, SM; (2013) Knowledge Led Master Code Search for Atomic and Electronic Structures of LaF3 Nanoclusters on Hybrid Rigid Ion-Shell Model-DFT Landscapes. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (45) 24003 - 24014. 10.1021/jp406854j. Green open access

Woods, PM; Slater, B; Raza, Z; Viti, S; Brown, WA; Burke, DJ; (2013) GLYCOLALDEHYDE FORMATION VIA THE DIMERIZATION OF THE FORMYL RADICAL. ASTROPHYSICAL JOURNAL , 777 (2) 10.1088/0004-637X/777/2/90.

Wright, DW; Deuzing, IP; Flandre, P; van den Eede, P; Govaert, M; Setiawan, L; Coveney, PV; (2013) A Polymorphism at Position 400 in the Connection Subdomain of HIV-1 Reverse Transcriptase Affects Sensitivity to NNRTIs and RNaseH Activity. PLoS One , 8 (10) , Article e74078. 10.1371/journal.pone.0074078. Green open access

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.

Wu, H; Habgood, M; Parker, JE; Reeves-McLaren, N; Cockcroft, JK; Vickers, M; West, AR; (2013) Crystal structure determination by combined synchrotron powder X-ray diffraction and crystal structure prediction: 1: 1 L-ephedrine D-tartrate. CRYSTENGCOMM , 15 (10) pp. 1853-1859. 10.1039/c2ce26097b.


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

Yang, C-S; Miguel Mora-Fonz, J; Catlow, CRA; (2013) Modeling the Nucleation of Zeolite A. JOURNAL OF PHYSICAL CHEMISTRY C , 117 (47) pp. 24796-24803. 10.1021/jp4050034.

Yim, CM; Pang, CL; Humphrey, DS; Muryn, CA; Schulte, K; Pérez, R; Thornton, G; (2013) CO and O overlayers on Pd nanocrystals supported on TiO2(110). Faraday Discuss , 162 pp. 191-200.

Yuan, P-F; Wang, F; Sun, Q; Jia, Y; Guo, ZX; (2013) Dehydrogenation mechanisms of Ca(NH2BH3)(2): The less the charge transfer, the lower the barrier. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , 38 (26) pp. 11313-11320. 10.1016/j.ijhydene.2013.06.106.

Yuan, P-F; Wang, F; Sun, Q; Jia, Y; Guo, ZX; (2013) Dehydrogenation mechanisms of Ca(NH2BH3)2: The less the charge transfer, the lower the barrier. International Journal of Hydrogen Energy , 38 (26) 11313 - 11320. 10.1016/j.ijhydene.2013.06.106. Green open access

Yuan, P-F; Wang, F; Sun, Q; Jia, Y; Guo, ZX; (2013) Structural and reaction pathway analyses of Mg(BH4)(2)center dot 2NH(3) for hydrogen storage : A first-principles study. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , 38 (6) pp. 2836-2845. 10.1016/j.ijhydene.2012.12.075.

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, J; Dou, Y; Liu, G; Guo, Z; (2013) First-principles study of stacking fault energies in Mg-based binary alloys. COMPUTATIONAL MATERIALS SCIENCE , 79 pp. 564-569. 10.1016/j.commatsci.2013.07.012.

Zhang, X; Bronstein, H; Kronemeijer, AJ; Smith, J; Kim, Y; Kline, RJ; Richter, LJ; (2013) Molecular origin of high field-effect mobility in an indacenodithiophene-benzothiadiazole copolymer. Nat Commun , 4 2238-. 10.1038/ncomms3238.

Zhang, X; Cooke, K; Carmichael, P; Parkin, IP; (2013) The deposition of crystallized TiO2 coatings by closed field unbalanced magnetron sputter ion plating. SURFACE & COATINGS TECHNOLOGY , 236 pp. 290-295. 10.1016/j.surfcoat.2013.10.002.

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.

Zorko, A; Bert, F; Ozarowski, A; van Tol, J; Boldrin, D; Wills, AS; Mendels, P; (2013) Dzyaloshinsky-Moriya interaction in vesignieite: A route to freezing in a quantum kagome antiferromagnet. PHYSICAL REVIEW B , 88 (14) 10.1103/PhysRevB.88.144419.

Zwijnenburg, MA; (2013) Excited state localisation cascades in inorganic semiconductor nanoparticles. Phys Chem Chem Phys , 15 (26) pp. 11119-11127. 10.1039/c3cp50800e.

Zwijnenburg, MA; Cheng, G; McDonald, TO; Jelfs, KE; Jiang, J-X; Ren, S; Hasell, T; (2013) Shedding Light on Structure-Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain. Macromolecules , 46 (19) 7696 - 7704. 10.1021/ma401311s. Green open access

This list was generated on Sun Aug 21 08:21:39 2016 BST.