Browse by UCL Departments and Centres
Group by: Author | Type
Number of items: 153.
Article
Aliev, AE;
Courtier-Murias, D;
(2014)
Water scaffolding in collagen: Implications on protein dynamics as revealed by solid-state NMR.
Biopolymers
, 101
(3)
pp. 246-256.
10.1002/bip.22330.
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Aliev, AE;
Kulke, M;
Khaneja, HS;
Chudasama, V;
Sheppard, TD;
Lanigan, RM;
(2014)
Motional timescale predictions by molecular dynamics simulations: Case study using proline and hydroxyproline sidechain dynamics.
Proteins
, 82
(2)
pp. 195-215.
10.1002/prot.24350.
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Anderson, JC;
Campbell, IB;
Campos, S;
Shannon, J;
(2014)
Diastereoselective synthesis of beta-aminosulfones from the 1,2-addition to N-(para-methoxyphenyl) imines.
TETRAHEDRON LETTERS
, 55
(52)
7206 - 7208.
10.1016/j.tetlet.2014.11.017.
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Anderson, JC;
Grounds, H;
Reeves, S;
Taylor, PW;
(2014)
Improved synthesis of structural analogues of (-)-epicatechin gallate for modulation of staphylococcal β-lactam resistance.
Tetrahedron
, 70
(21)
3485 - 3490.
10.1016/j.tet.2014.03.052.
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Anderson, JC;
Kalogirou, AS;
Tizzard, GJ;
(2014)
Conjugate addition nitro-Mannich reaction of carbon and heteroatom nucleophiles to nitroalkenes.
Tetrahedron
, 70
(49)
9337 - 9351.
10.1016/j.tet.2014.10.042.
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Ashton, TE;
Laveda, JV;
MacLaren, DA;
Baker, PJ;
Porch, A;
Jones, MO;
Corr, SA;
(2014)
Muon studies of Li+ diffusion in LiFePO4 nanoparticles of different polymorphs.
Journal of Materials Chemistry A
, 2
(17)
pp. 6238-6245.
10.1039/c4ta00543k.
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Beale, AM;
Gibson, EK;
O'Brien, MG;
Jacques, SDM;
Cernik, RJ;
Di Michiel, M;
Cobden, PD;
... Weckhuysen, BM; + view all
(2014)
Chemical imaging of the sulfur-induced deactivation of Cu/ZnO catalyst bodies.
JOURNAL OF CATALYSIS
, 314
94 - 100.
10.1016/j.jcat.2014.04.007.
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Beale, AM;
Jacques, SDM;
Gibson, EK;
Di Michiel, M;
(2014)
Progress towards five dimensional diffraction imaging of functional materials under process conditions.
COORDINATION CHEMISTRY REVIEWS
, 277
208 - 223.
10.1016/j.ccr.2014.05.008.
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Berardo, E;
Hu, H-S;
van Dam, HJJ;
Shevlin, SA;
Woodley, SM;
Kowalski, K;
Zwijnenburg, MA;
(2014)
Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
, 10
(12)
5538 - 5548.
10.1021/ct500787x.
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Berardo, E;
Hu, HS;
Shevlin, SA;
Woodley, SM;
Kowalski, K;
Zwijnenburg, MA;
(2014)
Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description.
J Chem Theory Comput
, 10
(3)
1189 - 1199.
10.1021/ct4010273.
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Bernabeu, MO;
Jones, ML;
Nielsen, JH;
Krüger, T;
Nash, RW;
Groen, D;
Schmieschek, S;
... Coveney, PV; + view all
(2014)
Computer simulations reveal complex distribution of haemodynamic forces in a mouse retina model of angiogenesis.
J R Soc Interface
, 11
(99)
, Article 20140543. 10.1098/rsif.2014.0543.
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Borgdorff, J;
Ben Belgacem, M;
Bona-Casas, C;
Fazendeiro, L;
Groen, D;
Hoenen, O;
Mizeranschi, A;
... Chopard, B; + view all
(2014)
Performance of distributed multiscale simulations.
Philos Trans A Math Phys Eng Sci
, 372
(2021)
10.1098/rsta.2013.0407.
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Braun, DE;
McMahon, JA;
Koztecki, LH;
Price, SL;
Reutzel-Edens, SM;
(2014)
Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape.
CRYSTAL GROWTH & DESIGN
, 14
(4)
2056 - 2072.
10.1021/cg500185h.
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Brookes, C;
Wells, PP;
Dimitratos, N;
Jones, W;
Gibson, EK;
Morgan, DJ;
Cibin, G;
... Bowker, M; + view all
(2014)
The Nature of the Molybdenum Surface in Iron Molybdate. The Active Phase in Selective Methanol Oxidation.
JOURNAL OF PHYSICAL CHEMISTRY C
, 118
(45)
pp. 26155-26161.
10.1021/jp5081753.
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Buckeridge, J;
Catlow, CRA;
Scanlon, DO;
Keal, TW;
Sherwood, P;
Miskufova, M;
Walsh, A;
... Sokol, AA; + view all
(2014)
Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals.
Physical Review Letters
, 114
, Article 016405 . 10.1103/PhysRevLett.114.016405.
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Burns, JR;
Al-Juffali, N;
Janes, SM;
Howorka, S;
(2014)
Membrane-Spanning DNA Nanopores with Cytotoxic Effect.
Angew Chem Int Ed Engl
, 53
(46)
pp. 12466-12470.
10.1002/anie.201405719.
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Butchosa, Cristina;
McDonald, Tom O;
Cooper, Andrew I;
Adams, Dave J;
Zwijnenburg, Martijn A;
(2014)
Shining a Light on s-Triazine-Based Polymers.
Journal of Physical Chemistry C
, 118
(8)
pp. 4314-4324.
10.1021/jp411854f.
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Butchosa, C;
Guiglion, P;
Zwijnenburg, MA;
(2014)
Carbon Nitride Photocatalysts for Water Splitting: A Computational Perspective.
JOURNAL OF PHYSICAL CHEMISTRY C
, 118
(43)
24833 - 24842.
10.1021/jp507372n.
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Chavda, JK;
Procopiou, PA;
Horton, PN;
Coles, SJ;
Porter, MJ;
(2014)
Synthetic Studies Towards the Core Structure of Nakadomarin A by a Thioamide-Based Strategy.
European Journal Of Organic Chemistry
, 2014
(1)
129 - 139.
10.1002/ejoc.201301063.
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Chierico, L;
Joseph, AS;
Lewis, AL;
Battaglia, G;
(2014)
Live cell imaging of membrane / cytoskeleton interactions and membrane topology.
Scientific Reports
, 4
, Article 6056. 10.1038/srep06056.
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Colchester, RJ;
Mosse, CA;
Bhachu, DS;
Bear, JC;
Carmalt, CJ;
Parkin, IP;
Treeby, BE;
... Desjardins, AE; + view all
(2014)
Laser-generated ultrasound with optical fibres using functionalised carbon nanotube composite coatings.
APPLIED PHYSICS LETTERS
, 104
(17)
, Article ARTN 173502. 10.1063/1.4873678.
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Coreno, M;
de Simone, M;
Green, JC;
Kaltsoyannis, N;
Coates, R;
Hunston, C;
Narband, N;
(2014)
Variable photon energy photoelectron spectroscopy of tris-cyclopentadienyl lanthanides.
Dalton Trans
, 43
(13)
5134 - 5141.
10.1039/c3dt53512f.
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Cuthbertson, J;
Gray, VJ;
Wilden, JD;
(2014)
Observations on transition metal free biaryl coupling: potassium tert-butoxide alone promotes the reaction without diamine or phenanthroline catalysts.
Chemical Communications
, 50
(20)
pp. 2575-2578.
10.1039/c3cc49019j.
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D'Oyley, JM;
Aliev, AE;
Sheppard, TD;
(2014)
Regioselective Dihalohydration Reactions of Propargylic Alcohols: Gold-Catalyzed and Non-Catalyzed Reactions.
Angewandte Chemie International Edition
, 53
(40)
pp. 10747-10750.
10.1002/anie.201405348.
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Davies, GB;
Krüger, T;
Coveney, PV;
Harting, J;
Bresme, F;
(2014)
Assembling Ellipsoidal Particles at Fluid Interfaces using Switchable Dipolar Capillary Interactions.
Adv Mater
, 26
(39)
pp. 6715-6719.
10.1002/adma.201402419.
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Deacon-Smith, DE;
Scanlon, DO;
Catlow, CR;
Sokol, AA;
Woodley, SM;
(2014)
Interlayer cation exchange stabilizes polar perovskite surfaces.
Adv Mater
, 26
(42)
7252 - 7256.
10.1002/adma.201401858.
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Dhankher, P;
Benhamou, L;
Sheppard, TD;
(2014)
Rapid assembly of functionalised spirocyclic indolines by palladium-catalysed dearomatising diallylation of indoles with allyl acetate.
Chemistry - A European Journal
, 20
(41)
13375- 13381.
10.1002/chem.201403940.
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Dhankher, P;
Sheppard, TD;
(2014)
A Convenient Synthesis of Tri- and Tetramethylbenzaldehydes from Readily Available Phenols.
Synlett
, 25
(3)
381 - 384.
10.1055/s-0033-1340302.
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Dölker, N;
Górna, MW;
Sutto, L;
Torralba, AS;
Superti-Furga, G;
Gervasio, FL;
(2014)
The SH2 Domain Regulates c-Abl Kinase Activation by a Cyclin-Like Mechanism and Remodulation of the Hinge Motion.
Plos Computational Biology
(10)
, Article e1003863. 10.1371/journal.pcbi.1003863.
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Downing, CA;
Sokol, AA;
Catlow, CRA;
(2014)
The reactivity of CO2 on the MgO(100) surface.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
, 16
(1)
184 - 195.
10.1039/c3cp53458h.
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Farrow, MR;
Chow, Y;
Woodley, SM;
(2014)
Structure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy landscape?
Physical Chemistry Chemical Physics
, 16
(39)
pp. 21119-21134.
10.1039/c4cp01825g.
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Fei, Z;
Pattanasattayavong, P;
Han, Y;
Schroeder, BC;
Yan, F;
Kline, RJ;
Anthopoulos, TD;
(2014)
Influence of Side-Chain Regiochemistry on the Transistor Performance of High-Mobility, All-Donor Polymers.
Journal of the American Chemical Society
, 136
(43)
pp. 15154-15157.
10.1021/ja508798s.
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Ferracci, V;
Rowley, DM;
(2014)
Kinetic studies of the BrO plus ClO cross-reaction over the range T=246-314 K.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
, 16
(3)
1182 - 1196.
10.1039/c3cp53440e.
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Gadipelli, Srinivas;
Guo, Zhengxiao;
(2014)
Postsynthesis Annealing of MOF-5 Remarkably Enhances the Framework Structural Stability and CO2 Uptake.
Chemistry of Materials
, 26
pp. 6333-6338.
10.1021/cm502399q.
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Gadipelli, S;
Guo, ZX;
(2014)
Graphene-based materials: synthesis and gas sorption, storage and separation.
Progress in Materials Science
, 69
(April )
pp. 1-60.
10.1016/j.pmatsci.2014.10.004.
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Gadipelli, S;
Travis, W;
Zhou, W;
Guo, Z;
(2014)
A thermally derived and optimized structure from ZIF-8 with giant enhancement in CO2 uptake.
Energy & Environmental Science
, 2014
(7)
2232 - 2238.
10.1039/c4ee01009d.
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Galante, E;
Okamura, T;
Sander, K;
Kikuchi, T;
Okada, M;
Zhang, MR;
Robson, M;
... Arstad, E; + view all
(2014)
Development of purine-derived (18)F-labeled pro-drug tracers for imaging of MRP1 activity with PET.
J Med Chem
, 57
(3)
pp. 1023-1032.
10.1021/jm401764a.
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Ghosh, S;
Hogarth, G;
Hollingsworth, N;
Holt, KB;
Kabir, SE;
Sanchez, BE;
(2014)
Hydrogenase biomimetics: Fe2(CO)4(μ-dppf)(μ-pdt) (dppf = 1,1'-bis(diphenylphosphino)ferrocene) both a proton-reduction and hydrogen oxidation catalyst.
Chem Commun (Camb)
(50)
pp. 945-947.
10.1039/c3cc46456c.
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Goodall, JBM;
(2014)
UK Catalysis Hub.
International Innovation
(167)
pp. 89-91.
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Gould, AL;
Heard, CJ;
Logsdail, AJ;
Catlow, CR;
(2014)
Segregation effects on the properties of (AuAg)₁₄₇.
Phys Chem Chem Phys
, 16
(39)
21049 - 21061.
10.1039/c4cp00753k.
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Goyal, P;
Krasteva, PV;
Van Gerven, N;
Gubellini, F;
Van den Broeck, I;
Troupiotis-Tsaïlaki, A;
Jonckheere, W;
... Remaut, H; + view all
(2014)
Structural and mechanistic insights into the bacterial amyloid secretion channel CsgG.
[Letter].
Nature
, 516
pp. 250-253.
10.1038/nature13768.
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Gray, VJ;
Cuthbertson, J;
Wilden, JD;
(2014)
Transition-metal-free synthesis of ynol ethers and thioynol ethers via displacement at sp centers: a revised mechanistic pathway.
The Journal of Organic Chemistry
, 79
(12)
pp. 5869-5874.
10.1021/jo500814y.
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Greenwood, JB;
Miles, J;
De Camillis, S;
Mulholland, P;
Zhang, L;
Parkes, MA;
Hailes, HC;
(2014)
Resonantly Enhanced Multiphoton Ionization Spectrum of the Neutral Green Fluorescent Protein Chromophore.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
, 5
(20)
3588 - 3592.
10.1021/jz5019256.
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Grinter, DC;
Woolcot, T;
Pang, C-L;
Thornton, G;
(2014)
Ordered Carboxylates on TiO (110) Formed at Aqueous Interfaces.
The Journal of Physical Chemistry Letters
, 5
(24)
4265 - 4269.
10.1021/jz502249j.
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Guiglion, P;
Butchosa, C;
Zwijnenburg, MA;
(2014)
Polymeric watersplitting photocatalysts; a computational perspective on the water oxidation conundrum.
Journal of Materials Chemistry A
, 2
(30)
pp. 11996-12004.
10.1039/c4ta02044h.
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Han, X;
Stewart, HM;
Shevlin, SA;
Catlow, CR;
Guo, ZX;
(2014)
Strain and orientation modulated bandgaps and effective masses of phosphorene nanoribbons.
Nano Letters
, 14
(8)
pp. 4607-4614.
10.1021/nl501658d.
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Hazael, R;
Foglia, F;
Kardzhaliyska, L;
Daniel, I;
Meersman, F;
McMillan, P;
(2014)
Laboratory investigation of high pressure survival in Shewanella oneidensis MR-1 into the gigapascal pressure range.
Frontiers in Microbiology
, 5
10.3389/fmicb.2014.00612.
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Herschy, B;
Whicher, A;
Camprubi, E;
Watson, C;
Dartnell, L;
Ward, J;
Evans, JR;
(2014)
An origin-of-life reactor to simulate alkaline hydrothermal vents.
J Mol Evol
, 79
(5-6)
213 - 227.
10.1007/s00239-014-9658-4.
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Howorka, S;
Hesse, J;
(2014)
Microarrays and single molecules: an exciting combination.
Soft Matter
, 10
(7)
931 - 941.
10.1039/c3sm52561a.
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Hull, EA;
Livanos, M;
Miranda, E;
Smith, ME;
Chester, KA;
Baker, JR;
(2014)
Homogeneous Bispecifics by Disulfide Bridging.
Bioconjug Chem
, 25
(8)
pp. 1395-1401.
10.1021/bc5002467.
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Hussain, H;
Torrelles, X;
Rajput, P;
Nicotra, M;
Thornton, G;
Zegenhagen, J;
(2014)
A Quantitative Structural Investigation of the 0.1 wt % Nb-SrTiO3(001)/H2O Interface.
Journal of Physical Chemistry C
, 118
(20)
10980 - 10988.
10.1021/jp5034118.
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Jathoul, Amit P;
Grounds, Helen;
Anderson, James C;
Pule, Martin A;
(2014)
A Dual Color Far-Red to Near-Infrared Firefly Luciferin Analogue Designed for Multi-Parametric Bioluminescence Imaging.
Angewandte Chemie
, 53
(48)
pp. 13059-13063.
10.1002/anie.201405955.
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Kimber, HJ;
Ennis, CP;
Price, SD;
(2014)
Single and double addition of oxygen atoms to propyne on surfaces at low temperatures.
Faraday Discuss
, 168
167 - 184.
10.1039/C3FD00130J.
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Kitching, H;
Kenyon, AJ;
Parkin, IP;
(2014)
The interaction of gold and silver nanoparticles with a range of anionic and cationic dyes.
Physical Chemistry Chemical Physics
, 16
6050 - 6059.
10.1039/C3CP55366C.
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Knapp, CE;
Manzi, JA;
Kafizas, A;
Parkin, IP;
Carmalt, CJ;
(2014)
Aerosol-Assisted Chemical Vapour Deposition of Transparent Zinc Gallate Films.
ChemPlusChem
, 79
(7)
pp. 1024-1029.
10.1002/cplu.201402037.
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Lichman, BR;
Lamming, ED;
Pesnot, T;
Smith, JM;
Hailes, HC;
Ward, JM;
(2014)
One-pot triangular chemoenzymatic cascades for the syntheses of chiral alkaloids from dopamine.
Green Chemistry
, 17
(2)
pp. 852-855.
10.1039/c4gc02325k.
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Logsdail, AJ;
Scanlon, DO;
Catlow, CRA;
Sokol, AA;
(2014)
Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides.
PHYSICAL REVIEW B
, 90
(15)
, Article ARTN 155106. 10.1103/PhysRevB.90.155106.
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Lounasvuori, MM;
Rosillo-Lopez, M;
Salzmann, CG;
Caruana, DJ;
Holt, KB;
(2014)
Electrochemical characterisation of graphene nanoflakes with functionalised edges.
Faraday Discussions
, 172
pp. 293-310.
10.1039/c4fd00034j.
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Makwana, NM;
Quesada-Cabrera, R;
Parkin, IP;
McMillan, PF;
Mills, A;
Darr, JA;
(2014)
A simple and low-cost method for the preparation of self-supported TiO2-WO3 ceramic heterojunction wafers.
Journal of Materials Chemistry A
, 2
(41)
pp. 17602-17608.
10.1039/c4ta03257h.
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Mansor, N;
Jorge, AB;
Corà, F;
Gibbs, C;
Jervis, R;
McMillan, PF;
Wang, X;
(2014)
Graphitic Carbon Nitride Supported Catalysts for Polymer Electrolyte Fuel Cells.
J Phys Chem C Nanomater Interfaces
, 118
(13)
6831 - 6838.
10.1021/jp412501j.
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Marculescu, C;
Kossen, H;
Morgan, RE;
Mayer, P;
Fletcher, SA;
Tolner, B;
Chester, KA;
... Baker, JR; + view all
(2014)
Aryloxymaleimides for cysteine modification, disulfide bridging and the dual functionalization of disulfide bonds.
Chemical Communications
, 50
(54)
pp. 7139-7142.
10.1039/c4cc02107j.
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Martin, DJ;
Qiu, K;
Shevlin, SA;
Handoko, AD;
Chen, X;
Guo, Z;
Tang, J;
(2014)
Highly Efficient Photocatalytic H2 Evolution from Water using Visible Light and Structure-Controlled Graphitic Carbon Nitride.
Angew Chem Int Ed Engl
, 53
(35)
pp. 9240-9245.
10.1002/anie.201403375.
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Martin, HS;
Jha, S;
Coveney, PV;
(2014)
Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force.
J Comput Chem
, 35
(9)
pp. 692-702.
10.1002/jcc.23525.
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McCabe, EE;
Wills, AS;
Chapon, L;
Manuel, P;
Evans, JSO;
(2014)
Structural and magnetic characterization of iron oxyselenides Ce2O2Fe2OSe2 and Nd2O2Fe2OSe2.
PHYSICAL REVIEW B
, 90
(16)
, Article ARTN 165111. 10.1103/PhysRevB.90.165111.
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Minns, RS;
Lazenby, DTC;
Hall, FHJ;
Jones, NJA;
Patel, R;
Fielding, HH;
(2014)
A spectroscopic investigation of the ionisation and dissociation decay dynamics of Rydberg states of NO.
MOLECULAR PHYSICS
, 112
(13)
1808 - 1815.
10.1080/00268976.2013.865809.
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Moniz, SJA;
Quesada-Cabrera, R;
Blackman, CS;
Tang, J;
Southern, P;
Weaver, PM;
Carmalt, CJ;
(2014)
A simple, low-cost CVD route to thin films of BiFeO3 for efficient water photo-oxidation.
Journal of Materials Chemistry A
, 2
(9)
2922 - 2927.
10.1039/c3ta14824f.
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Moody, P;
Chudasama, V;
Nathani, RI;
Maruani, A;
Martin, S;
Smith, ME;
Caddick, S;
(2014)
A rapid, site-selective and efficient route to the dual modification of DARPins.
Chem Commun (Camb)
, 50
(38)
pp. 4898-4900.
10.1039/c4cc00053f.
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Mooney, CRS;
Parkes, MA;
Zhang, L;
Hailes, HC;
Simperler, A;
Bearpark, MJ;
Fielding, HH;
(2014)
Competition between photodetachment and autodetachment of the 2(1)pi pi* state of the green fluorescent protein chromophore anion.
JOURNAL OF CHEMICAL PHYSICS
, 140
(20)
, Article ARTN 205103. 10.1063/1.4874643.
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Mortensen, M;
Iqbal, F;
Pandurangan, AP;
Hannan, S;
Huckvale, R;
Topf, M;
Baker, JR;
(2014)
Photo-antagonism of the GABAA receptor.
Nature Communications
, 5
, Article 4454. 10.1038/ncomms5454.
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Nash, RW;
Carver, HB;
Bernabeu, MO;
Hetherington, J;
Groen, D;
Krueger, T;
Coveney, PV;
(2014)
Choice of boundary condition for lattice-Boltzmann simulation of moderate-Reynolds-number flow in complex domains.
PHYSICAL REVIEW E
, 89
(2)
, Article 023303. 10.1103/PhysRevE.89.023303.
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Palacios, L;
Rosado, H;
Micol, V;
Rosato, AE;
Bernal, P;
Arroyo, R;
Grounds, H;
... Taylor, PW; + view all
(2014)
Staphylococcal Phenotypes Induced by Naturally Occurring and Synthetic Membrane-Interactive Polyphenolic β-Lactam Resistance Modifiers.
PLoS One
, 9
(4)
, Article e93830. 10.1371/journal.pone.0093830.
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Palgrave, R;
(2014)
Cleaning the future.
International Innovation
(140)
pp. 96-98.
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Pang, CL;
Yurtsever, A;
Onoda, J;
Sugimoto, Y;
Thornton, G;
(2014)
(2n×1) Reconstructions of TiO2(011) Revealed by Noncontact Atomic Force Microscopy and Scanning Tunneling Microscopy.
The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces
, 118
(40)
23168-23174.
10.1021/jp507422s.
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Parkes, MA;
Lockyear, JF;
Price, SD;
(2014)
Bond-forming reactions between the molecular oxygen dication and small organic molecules.
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
, 365-36
68 - 74.
10.1016/j.ijms.2014.01.014.
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Pennell, MN;
Foster, RW;
Turner, PG;
Hailes, HC;
Tame, CJ;
Sheppard, TD;
(2014)
Gold catalysed synthesis of 3-alkoxyfurans at room temperature.
Chemical Communications
, 50
(11)
1302 - 1304.
10.1039/c3cc48290a.
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Pesce, G;
Volpe, G;
Volpe, G;
Sasso, A;
(2014)
Long-term influence of fluid inertia on the diffusion of a Brownian particle.
Phys Rev E Stat Nonlin Soft Matter Phys
, 90
(4)
042309 - ?.
10.1103/PhysRevE.90.042309.
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Planells, M;
Schroeder, BC;
McCulloch, I;
(2014)
Effect of Chalcogen Atom Substitution on the Optoelectronic Properties in Cyclopentadithiophene Polymers.
Macromolecules
, 47
(17)
pp. 5889-5894.
10.1021/ma5014308.
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Ponja, SD;
Sathasivam, S;
Parkin, IP;
Carmalt, CJ;
(2014)
Transparent conductive aluminium and fluorine co-doped zinc oxide films via aerosol assisted chemical vapour deposition.
RSC Advances
, 4
(91)
49723 - 49728.
10.1039/c4ra09997d.
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Price, LS;
McMahon, JA;
Lingireddy, SR;
Lau, S-F;
Diseroad, BA;
Price, SL;
Reutzel-Edens, SM;
(2014)
A molecular picture of the problems in ensuring structural purity of tazofelone.
JOURNAL OF MOLECULAR STRUCTURE
, 1078
26 - 42.
10.1016/j.molstruc.2014.01.014.
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Price, SL;
(2014)
Predicting crystal structures of organic compounds.
CHEMICAL SOCIETY REVIEWS
, 43
(7)
2098 - 2111.
10.1039/c3cs60279f.
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Qiu, K;
Guo, ZX;
(2014)
Hierarchically porous graphene sheets and graphitic carbon nitride intercalated composites for enhanced oxygen reduction reaction.
JOURNAL OF MATERIALS CHEMISTRY A
, 2
(9)
3209 - 3215.
10.1039/c3ta14158f.
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Quesada-Cabrera, R;
Sotelo-Vazquez, C;
Bear, JC;
Darr, JA;
Parkin, IP;
(2014)
Photocatalytic Evidence of the Rutile-to-Anatase Electron Transfer in Titania.
Advanced Materials Interfaces
, 1
(6)
, Article 1400069. 10.1002/admi.201400069.
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Quesada-Cabrera, R;
Sotelo-Vazquez, C;
Darr, JA;
Parkin, IP;
(2014)
Critical influence of surface nitrogen species on the activity of N-doped TiO thin-films during photodegradation of stearic acid under UV light irradiation.
Applied Catalysis B: Environmental
, 160-16
(1)
582 - 588.
10.1016/j.apcatb.2014.06.010.
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Quigley, D;
Alfè, D;
Slater, B;
(2014)
Communication: On the stability of ice 0, ice i, and I(h).
The Journal of Chemical Physics
, 141
(16)
, Article 161102. 10.1063/1.4900772.
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Rahaman, A;
Ghosh, S;
Unwin, DG;
Basak-Modi, S;
Holt, KB;
Kabir, SE;
Nordlander, E;
... Hogarth, G; + view all
(2014)
Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe3(CO)7(μ-edt)2] and Phosphine Derivatives [Fe3(CO)7-x (PPh3) x (μ-edt)2] (x = 1, 2) and [Fe3(CO)5(κ(2)-diphosphine)(μ-edt)2] as Proton Reduction Catalysts.
Organometallics
, 33
(6)
1356 - 1366.
10.1021/om400691q.
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Richter, N;
Simon, RC;
Kroutil, W;
Ward, JM;
Hailes, HC;
(2014)
Synthesis of pharmaceutically relevant 17-α-amino steroids using an ω-transaminase.
Chem Commun (Camb)
, 50
pp. 6098-6100.
10.1039/c3cc49080g.
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Sala, M;
Kirkby, OM;
Guérin, S;
Fielding, HH;
(2014)
New insight into the potential energy landscape and relaxation pathways of photoexcited aniline from CASSCF and XMCQDPT2 electronic structure calculations.
Phys Chem Chem Phys
, 16
(7)
3122 - 3133.
10.1039/c3cp54418d.
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Sanchez-Vazquez, SA;
Sheppard, TD;
Evans, JRG;
Hailes, HC;
(2014)
The selective conversion of D-limonene to p,alpha-dimethylstyrene.
RSC ADVANCES
, 4
(106)
61652 - 61655.
10.1039/c4ra11558a.
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Sarip, R;
Molkenova, A;
Sathasivam, S;
Umek, P;
Vallejos, S;
Blackman, C;
Hogarth, G;
(2014)
Single-step co-deposition of nanostructured tungsten oxide supported gold nanoparticles using a gold-phosphine cluster complex as the gold precursor.
Science and Technology of Advanced Materials
, 15
(6)
, Article 065004. 10.1088/1468-6996/15/6/065004.
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Sayer, C;
Martinez-Torres, RJ;
Richter, N;
Isupov, MN;
Hailes, HC;
Littlechild, JA;
Ward, JM;
(2014)
The substrate specificity, enantioselectivity and structure of the (R)-selective amine : pyruvate transaminase from Nectria haematococca.
FEBS JOURNAL
, 281
(9)
2240 - 2253.
10.1111/febs.12778.
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Sayer, JR;
Walldén, K;
Pesnot, T;
Campbell, F;
Gane, PJ;
Simone, M;
Koss, H;
... Tabor, AB; + view all
(2014)
2- and 3-substituted imidazo[1,2-a]pyrazines as inhibitors of bacterial type IV secretion.
Bioorganic and Medical Chemistry
, 22
(22)
pp. 6459-6470.
10.1016/j.bmc.2014.09.036.
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Schroeder, BC;
Li, Z;
Brady, MA;
Faria, GC;
Ashraf, RS;
Takacs, CJ;
Cowart, JS;
... McCulloch, I; + view all
(2014)
Enhancing Fullerene-Based Solar Cell Lifetimes by Addition of a Fullerene Dumbbell.
Angewandte Chemie-international Edition
, 53
(47)
pp. 12870-12875.
10.1002/anie.201407310.
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Schroeder, BC;
Rossbauer, S;
Kline, RJ;
Biniek, L;
Watkins, SE;
Anthopoulos, TD;
McCulloch, I;
(2014)
Benzotrithiophene Copolymers: Influence of Molecular Packing and Energy Levels on Charge Carrier Mobility.
Macromolecules
, 47
(9)
pp. 2883-2890.
10.1021/ma500163u.
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Schumacher, FF;
Nunes, JP;
Maruani, A;
Chudasama, V;
Smith, ME;
Chester, KA;
Baker, JR;
(2014)
Next generation maleimides enable the controlled assembly of antibody-drug conjugates via native disulfide bond bridging.
Organic & Biomolecular Chemistry
, 12
(37)
pp. 7261-7269.
10.1039/c4ob01550a.
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Sehl, T;
Hailes, HC;
Ward, JM;
Menyes, U;
Pohl, M;
Rother, D;
(2014)
Efficient 2-step biocatalytic strategies for the synthesis of all nor(pseudo) ephedrine isomers.
Green Chemistry
, 16
(6)
pp. 3341-3348.
10.1039/c4gc00100a.
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Shariff, L;
Zhu, Y;
Cowper, B;
Di, W-L;
Macmillan, D;
(2014)
Sunflower trypsin inhibitor (SFTI-1) analogues of synthetic and biological origin via N -> S acyl transfer: potential inhibitors of human Kallikrein-5 (KLK5).
TETRAHEDRON
, 70
(42)
7675 - 7680.
10.1016/j.tet.2014.06.059.
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Sokol, AA;
Farrow, MR;
Buckeridge, J;
Logsdail, AJ;
Catlow, CR;
Scanlon, DO;
Woodley, SM;
(2014)
Double bubbles: a new structural motif for enhanced electron-hole separation in solids.
Physical Chemistry Chemical Physics
, 16
(39)
pp. 21098-21105.
10.1039/c4cp01900h.
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Srinivas, G;
Krungleviciute, V;
Guo, Z-X;
Yildirim, T;
(2014)
Exceptional CO2 capture in a hierarchically porous carbon with simultaneous high surface area and pore volume.
Energy & Environmental Science
, 7
(1)
335 - 342.
10.1039/c3ee42918k.
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Stratford, SA;
Arhangelskis, M;
Bučar, DK;
Jones, W;
(2014)
Solid-state photoreactivity of 9-substituted acridizinium bromide salts.
CrystEngComm
, 16
(47)
pp. 10830-10836.
10.1039/c4ce01622j.
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Varley, TS;
Hirani, M;
Harrison, G;
Holt, KB;
(2014)
Nanodiamond surface redox chemistry: influence of physicochemical properties on catalytic processes.
Faraday Discussions
, 172
pp. 349-364.
10.1039/c4fd00041b.
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Viswanathan, P;
Themistou, E;
Ngamkham, K;
Reilly, G;
Armes, SP;
Battaglia, G;
(2014)
Controlling Surface Topology and Functionality of Electrospun Fibers using Amphiphilic Block Copolymers to Direct Mesenchymal Progenitor Cell Adhesion.
Biomacromolecules
, 16
(1)
pp. 66-75.
10.1021/bm500671j.
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Wobbe, MC;
Kerridge, A;
Zwijnenburg, MA;
(2014)
Optical excitation of MgO nanoparticles; a computational perspective.
Physical Chemistry Chemical Physics
, 16
(40)
pp. 22052-22061.
10.1039/c4cp03442b.
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Wright, DW;
Hall, BA;
Kenway, OA;
Jha, S;
Coveney, PV;
(2014)
Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors.
J Chem Theory Comput
, 10
(3)
1228 - 1241.
10.1021/ct4007037.
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Youziel, J;
Akhbar, AR;
Aziz, Q;
Smith, ME;
Caddick, S;
Tinker, A;
Baker, JR;
(2014)
Bromo- and thiomaleimides as a new class of thiol-mediated fluorescence 'turn-on' reagents.
Org Biomol Chem
, 12
(4)
pp. 557-560.
10.1039/c3ob42141d.
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Zasada, SJ;
Chang, DCW;
Haidar, AN;
Coveney, PV;
(2014)
Flexible composition and execution of large scale applications on distributed e-infrastructures.
JOURNAL OF COMPUTATIONAL SCIENCE
, 5
(1)
51 - 62.
10.1016/j.jocs.2013.10.009.
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Zhao, Fei;
Zhang, Dengyou;
Nian, Yong;
Zhang, Lei;
Yang, Wei;
Liu, Hong;
(2014)
Palladium-Catalyzed Difunctionalization of Alkynes via C–N and S–N Cleavages: A Versatile Approach to Highly Functional Indoles.
Organic Letters
, 16
(19)
pp. 5124-5127.
10.1021/ol5024745.
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Zhou, M;
Bao, J;
Xu, Y;
Zhang, J;
Xie, J;
Guan, M;
Wang, C;
... Xie, Y; + view all
(2014)
Photoelectrodes Based upon Mo:BiVO₄ Inverse Opals for Photoelectrochemical Water Splitting.
ACS Nano
, 8
(7)
pp. 7088-7098.
10.1021/nn501996a.
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Book chapter
Schroeder, BC;
Ashraf, RS;
Mcculloch, I;
(2014)
Thiophene-Based High-Performance Donor Polymers for Organic Solar Cells.
In:
Organic Photovoltaics: Materials, Device Physics, and Manufacturing Technologies: Second Edition.
(pp. 27-60).
Wiley: Weinheim, Germany.
|
Sheppard, TD;
(2014)
Tris(2,2,2-trifluoroethoxy)boron.
In: Fuchs, PL and Charette, AB, (eds.)
Encyclopedia of Reagents for Organic Synthesis.
Wiley
|
Proceedings paper
Salamat, A;
Bouvier, P;
Gray, BM;
Hector, AL;
Kimber, SAJ;
McMillan, PF;
(2014)
High-Pressure Annealing of a Prestructured Nanocrystalline Precursor to Obtain Tetragonal and Orthorhombic Polymorphs of Hf3N4.
In:
MRS Proceedings, Volume 1655.
(pp. pp. 30-33).
Cambridge University Press: Cambridge, UK.
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Thesis
Ainsworth, RI;
(2014)
Modelling phosphate-based glasses for biomedical applications.
Doctoral thesis (PhD), UCL (University College London).
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Akhbar, AR;
(2014)
Hydroacylation of N=N bonds via aerobic C-H activation of aldehydes, and reactions of the products thereof.
Doctoral thesis , UCL (University College London).
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Baba, NM;
(2014)
Hydrophobic Polymers and Nanocomposites from Cassava.
Doctoral thesis , UCL (University College London).
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Bear, JC;
(2014)
Applied synthesis and characterisation of nanoparticles.
Doctoral thesis , UCL (University College London).
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Cooper, CS;
(2014)
Computational Modelling of Yttrium Stabilised Zirconia in Catalysis.
Doctoral thesis , UCL (University College London).
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Cox, SJ;
(2014)
Furthering our understanding of heterogeneous ice nucleation with molecular simulation.
Doctoral thesis , UCL (University College London).
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Cross, AJ;
(2014)
The synthesis, characterisation and functional testing of metal oxide thin films.
Doctoral thesis , UCL (University College London).
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D'Oyley, JM;
(2014)
Synthesis of Five-Membered Heterocycles: Novel Allosteric Modulators for Nicotinic Receptors and New Gold-Catalysed Reactions.
Doctoral thesis , UCL (University College London).
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Dzade, NY;
(2014)
Computational study of the interactions of small molecules with the surfaces of iron-bearing minerals.
Doctoral thesis , UCL (University College London).
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Elahi, A;
(2014)
Plasma electrochemistry: electron transfer at the solid/gas interface.
Doctoral thesis , UCL (University College London).
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Fletcher, James;
(2014)
Studies of atomic and molecular cations.
Doctoral thesis , UCL (University College London).
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Gray, VJ;
(2014)
New Applications for Sulfur-Based Leaving Groups in Synthesis.
Doctoral thesis , UCL (University College London).
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Haider, SG;
(2014)
Computational Studies of FeS: Bulk, Surfaces and Clusters.
Doctoral thesis (PhD), UCL (University College London).
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Hussain, H;
(2014)
Quantitative structural investigations of the water/metal oxide interface.
Doctoral thesis , UCL (University College London).
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Keating, JL;
(2014)
Elucidating structure over atomic length scales through advanced synchrotron-based methodologies.
Doctoral thesis , UCL (University College London).
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Leech, R;
(2014)
Synthesis and Manipulation of Nanoparticles.
Doctoral thesis , UCL (University College London).
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Li, MSF;
(2014)
Investigating the effects of applying a high voltage DC electric field in a flame using a point to plane electrode arrangement.
Doctoral thesis , UCL (University College London).
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Mackenzie Dover, CM;
(2014)
Synchrotron Studies of Technologically Important Metal Oxide Surfaces.
Doctoral thesis , UCL (University College London).
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Malik, J;
(2014)
Computational modelling of hydrated yttrium-containing silicate glasses for in situ radiotherapy.
Doctoral thesis , UCL (University College London).
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Marchand, Peter James;
(2014)
Group 13 metal oxide and pnictide thin films: developing novel single-source precursors for the deposition of functional materials.
Doctoral thesis (Ph.D), UCL (University College London).
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Martin, DJ;
(2014)
Investigation into high efficiency visible light photocatalysts for water reduction and oxidation.
Doctoral thesis , UCL (University College London).
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Moody, PR;
(2014)
Evaluation of strategies for modular assembly of targeted therapeutics and diagnostics.
Doctoral thesis , UCL (University College London).
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Nathani, RI;
(2014)
Novel approaches for cysteine bioconjugation.
Doctoral thesis , UCL (University College London).
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Nathanson, AS;
(2014)
Ammonia borane composites for solid state hydrogen storage and calcium-ammonia solutions in graphite.
Doctoral thesis , UCL (University College London).
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Noor, N;
(2014)
The Chemical Vapour Deposition of Transparent Conducting Oxides: Exploring Routes Toward Improved Functionality.
Doctoral thesis , UCL (University College London).
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Oikonomou, F;
(2014)
Constraining the sources of ultra-high energy cosmic rays with multi-messenger data.
Doctoral thesis , UCL (University College London).
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Pennell, MN;
(2014)
Gold Catalysed Reactions of Propargylic Alcohols.
Doctoral thesis , UCL (University College London).
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Premdjee, B;
(2014)
Semi-synthesis of glycoproteins.
Doctoral thesis , UCL (University College London).
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Puletti, F;
(2014)
Laboratory spectroscopic studies of interstellar ice analogues.
Doctoral thesis , UCL (University College London).
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Rahman, AS;
(2014)
Theoretical and experimental investigations of graphitic and crystalline carbon nitrides.
Doctoral thesis , UCL (University College London).
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Rakowska, PD;
(2014)
Designer peptide markers towards multifunctional nanoprobes for cellular targeting at the nanoscale.
Doctoral thesis , UCL (University College London).
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Roffey, AR;
(2014)
Dithiocarbamate Complexes as Single Source Precursors to Metal Sulfide Nanoparticles for Applications in Catalysis.
Doctoral thesis , UCL (University College London).
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Sanchez Vazquez, SA;
(2014)
Polymers from food wastes.
Doctoral thesis , UCL (University College London).
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Smith, AJ;
(2014)
In-situ and ex-situ studies of heteroatom substituted nanoporous materials using advanced radiation techniques.
Doctoral thesis , UCL (University College London).
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Sugden, IJ;
(2014)
Carboranes and their incorporation into siloxane polymers.
Doctoral thesis , UCL (University College London).
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Tillotson, MJ;
(2014)
The influence of titanium dioxide surface chemistry on osteogenic stem cell selection.
Doctoral thesis , UCL (University College London).
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Tocci, G;
(2014)
Realistic modelling of water/solid interfaces from ab Initio molecular dynamics.
Doctoral thesis , UCL (University College London).
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Turner, RL;
(2014)
Novel approaches to the synthesis of Wieland-Miescher ketone analogues.
Doctoral thesis , UCL (University College London).
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Ward, MKM;
(2014)
Kinetic studies of the atmospherically implicated halogen oxide radical and peroxy radical cross-reactions.
Doctoral thesis , UCL (University College London).
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Warwick, MEA;
(2014)
New cvd methods for energy efficient glazing.
Doctoral thesis , UCL (University College London).
|
Wu, OY;
(2014)
Continuous Hydrothermal Flow Synthesis of Lithium ion Battery Materials.
Doctoral thesis , UCL (University College London).
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Yau, KC;
(2014)
The asymmetric synthesis of oxo-piperidines and oxo-pyrrolidines.
Doctoral thesis , UCL (University College London).
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Youziel, JD;
(2014)
The use of Thiomaleimides as Intracellular Delivery Vehicles.
Doctoral thesis , UCL (University College London).
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