Items where Subject is "Department of Chemistry"
- UCL Eprints (16732)
- UCL Departments and Research Centres (8603)
- UCL Mathematics and Physical Sciences (870)
- Department of Chemistry (65)
- UCL Mathematics and Physical Sciences (870)
- UCL Departments and Research Centres (8603)
Number of items at this level: 65.
Article
Bramwell, S.T.;
Gingras, M.J.P.;
(2001)
Spin ice state in frustrated magnetic pyrochlore materials.
Science
, 294
(5546)
pp. 1495-1501.
10.1126/science.1064761.
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De Fabritiis, G;
Delgado-Buscalioni, R;
Coveney, PV;
(2006)
Multiscale modeling of liquids with molecular specificity.
PHYS REV LETT
, 97
(13)
, Article 134501. 10.1103/PhysRevLett.97.134501.
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Kerridge, A.;
Harker, A.H.;
Stoneham, A.M.;
(2004)
Quantum behaviour of hydrogen and muonium in vacancy-containing complexes in diamond.
Journal of Physics Condensed Matter
, 16
(47)
pp. 8743-8751.
10.1088/0953-8984/16/47/024.
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Koudriachova, M;
Harrison, NM;
de Leeuw, SW;
(2001)
Effect of Diffusion on Lithium Intercalation in Titanium Dioxide.
Physical Review Letters
, 86
(7)
1275 - 1278.
10.1103/PhysRevLett.86.1275.
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Nekovee, M;
Foulkes, WMC;
Needs, RJ;
(2001)
Quantum Monte Carlo Analysis of Exchange and Correlation in the Strongly Inhomogeneous Electron Gas.
Physical Review Letters
, 87
(3)
, Article 036401. 10.1103/PhysRevLett.87.036401.
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Perkin, S;
Kampf, N;
Klein, J;
(2006)
Long-range attraction between charge-mosaic surfaces across water.
PHYS REV LETT
, 96
(3)
, Article 038301. 10.1103/PhysRevLett.96.038301.
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Phillips, MJ;
Duncanson, P;
Wilson, K;
Darr, JA;
Griffiths, DV;
Rehman, I;
(2005)
Surface modification of bioceramics by grafting of tailored ally phosphonic acid.
ADVANCES IN APPLIED CERAMICS
, 104
(5)
pp. 261-267.
10.1179/174367605X62436.
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Walker, A.;
Woodley, S.;
Slater, B.;
Wright, K.;
(2009)
A computational study of magnesium point defects and diffusion in forsterite.
Physics of the Earth and Planetary Interiors
, 172
(1-2)
pp. 20-27.
10.1016/j.pepi.2008.04.001.
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Wander, A;
Schedin, F;
Steadman, P;
Norris, A;
McGrath, R;
Turner, TS;
Thornton, G;
(2001)
The Stability of Polar Oxide Surfaces.
Physical Review Letters
, 86
(17)
3811 - 3814.
10.1103/PhysRevLett.86.3811.
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Wilton-Ely, JDET;
Honarkhah, SJ;
Wang, M;
Tocher, DA;
Slawin, AMZ;
(2005)
sigma-Organyl complexes of ruthenium and osmium supported by a mixed-donor ligand.
DALTON T
(11)
1930 - 1939.
10.1039/b501906k.
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Book chapter
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Nowell, H;
Butchart, B;
Coombes, DS;
Price, SL;
Emmerich, W;
Catlow, CRA;
(2004)
Increasing the scope for polymorph prediction usinge-Science.
In:
Proceedings of the 2004 UK E-Science All Hands Meeting, Nottingham, UK.
(pp. 968-971).
UK Engineering and Physical Science Research Council
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Thesis
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Adriaens, D.A.;
(2009)
Theoretical investigations of surface chemistry in space.
Doctoral thesis , UCL (University College London).
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Ahmad, Katya;
(2021)
Ensemble-Based Coarse-Grained Molecular Dynamics Simulations of Multifunctional DNA Nanopores.
Doctoral thesis (Ph.D), UCL (University College London).
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Almora Barrios, N.;
(2010)
A computational investigation of the interaction of the collagen molecule with hydroxyapatite.
Doctoral thesis , UCL (University College London).
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Aqeel, T.M.R.;
(2008)
Synthesis, characterisation, and sorption studies of porous in organic materials.
Doctoral thesis , UCL (University College London).
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Benny, S.;
(2010)
High temperature water gas shift catalysts: a computer modelling study.
Doctoral thesis , UCL (University College London).
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Bishop, C.L.;
(2009)
The construction, development and application of potential simulation models to the filling of carbon nanotubes
by molten salts.
Doctoral thesis , UCL (University College London).
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Bou-Moreno, R.;
(2010)
The design and synthesis of complexes for the activation of carbon dioxide.
Doctoral thesis , UCL (University College London).
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Briquet, L.G.V.;
(2010)
Modelling active sites of supported metal catalysts.
Doctoral thesis , UCL (University College London).
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Butler, K.T.;
(2010)
Multi-scale modelling of proto-zeolitic solutions.
Doctoral thesis , UCL (University College London).
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Calder, S.;
(2010)
Investigation of geometric frustration in magnetic oxides.
Doctoral thesis , UCL (University College London).
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Charalambidou, E.;
(2008)
Synthesis of oxazole ring systems for use as inhibitors of telomerase function.
Masters thesis , UCL (University College London).
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Courtier Murias, D.;
(2010)
Molecular dynamics in collagen and model peptides.
Doctoral thesis , UCL (University College London).
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Culme-Seymour, E.J.;
(2010)
Engineering the growth substrate for embryonic stem cell
processing.
Doctoral thesis , UCL (University College London).
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Davies, Z.;
(2009)
Application of representation theory to magnetic and structural phase transitions.
Doctoral thesis , UCL (University College London).
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Deifallah, M.K.;
(2009)
A computational study of the structure and properties of aluminophosphates and carbon nitrides.
Doctoral thesis , UCL (University College London).
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Devey, A.J.;
(2010)
Computer modelling studies of mackinawite, greigite and cubic FeS.
Doctoral thesis , UCL (University College London).
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Dines, J.;
(2009)
Synthesis of inhibitors of histone deacetylase.
Doctoral thesis , UCL (University College London).
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Edridge, J.L.;
(2010)
Adsorption and desorption of model interstellar ices on a dust grain analogue surface.
Doctoral thesis , UCL (University College London).
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Geldeard, L.J.;
(2009)
Fundamental studies on 2,4,6-trichlorophenyl sulfonate esters.
Doctoral thesis , UCL (University College London).
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Gil Lostes, J.;
(2010)
A study of chemosensory effects of volatile organic compounds on humans.
Doctoral thesis , UCL (University College London).
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Greco, E.;
(2009)
Synthesis of self-assembly systems with multiple hydrogen
bonding interactions.
Doctoral thesis , UCL (University College London).
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Hu, X.;
(2010)
First principles studies of water and ice on
oxide surfaces.
Doctoral thesis , UCL (University College London).
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Islam, F.;
(2010)
The formation of molecular hydrogen in the interstellar medium.
Doctoral thesis , UCL (University College London).
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Jelfs, K.E.;
(2010)
Modelling the growth of zeolitic materials.
Doctoral thesis , UCL (University College London).
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Jerome, L.;
(2009)
The generation and reactivity of functionalised organozinc carbenoids for cyclopropane synthesis.
Doctoral thesis , UCL (University College London).
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Jonasson, L.;
(2009)
Computational investigations of the electronic structure of molecular actinide compounds.
Doctoral thesis , UCL (University College London).
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Jones, N.;
(2009)
The spectroscopy of bound and predissociating
Rydberg states of NO in external electric fields.
Doctoral thesis , UCL (University College London).
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Kato, Y.;
(2009)
Studies towards novel aldolase mimics.
Doctoral thesis , UCL (University College London).
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Kenway, O.A.;
(2010)
Molecular dynamics simulations of complex systems
including HIV-1 protease.
Doctoral thesis , UCL (University College London).
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King, S.-J.;
(2009)
Studies of the dissociation and energetics of gaseous
ions.
Doctoral thesis , UCL (University College London).
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Kinns, H.J.;
(2010)
Mapping the molecular structure of the S-layer protein SbsB.
Doctoral thesis , UCL (University College London).
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Knapp, C.E.;
(2010)
Synthesis, chemical vapour deposition and structural studies of group 13 alkoxides.
Doctoral thesis , UCL (University College London).
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Latimer, E.;
(2010)
Experimental studies of surface and gas-phase processes relevant to the interstellar medium and planetary atmospheres.
Doctoral thesis , UCL (University College London).
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Lee, C.C.;
(2010)
Synthetic approaches to biologically active sulfonates and sulfonamides.
Doctoral thesis , UCL (University College London).
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Luengo Arratta, S.;
(2010)
Intramolecular ene reactions of functionalised nitroso compounds.
Doctoral thesis , UCL (University College London).
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Mazzeo, M.D.;
(2010)
Lattice-Boltzmann simulations of cerebral blood flow.
Doctoral thesis , UCL (University College London).
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Michel, M.R.;
(2010)
Electronic structure study of copper-containing perovskites.
Doctoral thesis , UCL (University College London).
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Mitchell, N.J.;
(2010)
Application of chemically modified oligonucleotides in nanopore sensing and DNA nano – biotechnology.
Doctoral thesis , UCL (University College London).
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Mok, B.L.;
(2008)
Synthesis of functionalised sulfonamides.
Doctoral thesis , UCL (University College London).
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Narband, N.;
(2009)
Nanoparticles and photosensitisers; their interactions and
antibacterial properties.
Doctoral thesis , UCL (University College London).
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Nguyen, K.D.H.;
(2008)
Framework redox sites in nanoporous molecular sieve catalyst.
Doctoral thesis , UCL (University College London).
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Nunn, A.;
(2010)
Experimental and theoretical investigations of the photochemistry of styrene and the creation and characterisation of shaped femtosecond ultraviolet laser pulses.
Doctoral thesis , UCL (University College London).
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Page, K.;
(2009)
Photocatalytic thin films: their characterisation and antimicrobial properties.
Doctoral thesis , UCL (University College London).
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Pang, P.S.;
(2008)
Studies towards the synthesis of the core of Sarains A, B, & C.
Doctoral thesis , UCL (University College London).
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Parker, D.S.N.;
(2009)
Experimental investigation of the dynamics of S1 benzene and the development of a new UV femtosecond pulse shaper.
Doctoral thesis , UCL (University College London).
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Quesada Cabrera, R.;
(2009)
Molecular solids at high pressure.
Doctoral thesis , UCL (University College London).
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Ryan, C.P.;
(2010)
Advances in organometallic and protein chemistry.
Doctoral thesis , UCL (University College London).
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Salamat, N.;
(2010)
High pressure solid state chemistry of C-N-H and Ti-N systems.
Doctoral thesis , UCL (University College London).
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Scott, D.;
(2008)
The discovery of new functional oxides using combinatorial techniques and advanced data mining algorithms.
Doctoral thesis , UCL (University College London).
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Sharma, B.K.;
(2010)
Intermediate-range order in molten network-forming systems.
Doctoral thesis , UCL (University College London).
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Targett, J.J.;
(2009)
The polymorphs and solvates of phenylbutazone and their phase transition behaviour.
Masters thesis , UCL (University College London).
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Thyveetil, M.-A.;
(2008)
Large-scale simulations of layered double hydroxide nanocomposite materials.
Doctoral thesis , UCL (University College London).
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Welch, G.W.A.;
(2010)
The induction contribution to the lattice energy of organic crystals.
Doctoral thesis , UCL (University College London).
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Xia, X.;
(2010)
Computational modelling study of yttria-stabilized zirconia.
Doctoral thesis , UCL (University College London).
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