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Number of items: 411.

A

Adriaens, D.A. (2009) Theoretical investigations of surface chemistry in space. Doctoral thesis, UCL (University College London). An open access version is available from UCL Discovery

Afonja, A and Dungey, S and Binions, R and Parkin, IP and Lewis, DW and Williams, DE (2009) Gas sensing properties of composite tungsten trioxide-zeolite thick films. ECS Transactions , 16 (24) 77 - 84.

Aliev, AE and Bhandal, S and Courtier-Murias, D (2009) Quantum Mechanical and NMR Studies of Ring Puckering and cis/trans-Rotameric Interconversion in Prolines and Hydroxyprolines. J PHYS CHEM A , 113 (40) 10858 - 10865. 10.1021/jp906006w.

Aliev, AE and Courtier-Murias, D and Zhou, S (2009) Scaling factors for carbon NMR chemical shifts obtained from DFF B3LYP calculations. J MOL STRUC-THEOCHEM , 893 (1-3) 1 - 5. 10.1016/j.theochem.2008.09.021.

Aliev, AE and Law, RV (2009) Solid-state NMR spectroscopy. In: Webb, GA, (ed.) Nuclear Magnetic Resonance, vol. 38. (271 - 321). The Royal Society of Chemistry: Cambridge.

Aliev, AE and Moise, J and Motherwell, WB and Nic, M and Courtier-Murias, D and Tocher, DA (2009) Probing weak non-covalent interactions in solution and solid states with designed molecules. PHYS CHEM CHEM PHYS , 11 (1) 97 - 100. 10.1039/b815906h.

Aliev, AE and Sinclair, AJ and Zhou, S and Wilden, JD and Caddick, S and Kullmann, DM and Rusakov, DA (2009) Density functional and spectroscopic studies of nitrogen inversion in substituted dizocilpines. J PHYS ORG CHEM , 22 (6) 607 - 612. 10.1002/poc.1490.

Almora-Barrios, N and Austen, KF and de Leeuw, NH (2009) Density Functional Theory Study of the Binding of Glycine, Proline, and Hydroxyproline to the Hydroxyapatite (0001) and (01(1)over-bar0) Surfaces. LANGMUIR , 25 (9) 5018 - 5025. 10.1021/la803842g.

Almora-Barrios, N and de Leeuw, NH (2009) Computer simulations of the interaction of bio-molecules with hydroxyapatite surfaces in aqueous environment. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A31 - A31). PERGAMON-ELSEVIER SCIENCE LTD

Anderson, JC and Blake, AJ and Moreno, RB and Raynel, G and van Slageren, J (2009) A novel tridentate coordination mode for the carbonatonickel system exhibited in an unusual hexanuclear nickel(II) mu(3)-carbonato-bridged complex. DALTON T (42) 9153 - 9156. 10.1039/b912612k.

Anderson, JC and Smith, NM and Robertson, M and Scott, MS (2009) An investigation into oxo analogues of molybdenum olefin metathesis complexes as epoxidation catalysts for alkenes. TETRAHEDRON LETT , 50 (38) 5344 - 5346. 10.1016/j.tetlet.2009.07.011.

Anderson, RL and Greenwell, HC and Suter, JL and Coveney, PV and Thyveetil, MA (2009) Determining materials properties of natural composites using molecular simulation. J MATER CHEM , 19 (39) 7251 - 7262. 10.1039/b909119j.

Apostolico, L and Kociok-Kohn, G and Molloy, KC and Blackman, CS and Carmalt, CJ and Parkin, IP (2009) The reaction of tin(IV) iodide with phosphines: formation of new halotin anions. DALTON T (47) 10486 - 10494. 10.1039/b917722a.

Ares, JR and Aguey-Zinsou, KF and Leardini, F and Ferrer, IJ and Fernandez, JF and Guo, ZX and Sanchez, C (2009) Hydrogen Absorption/Desorption Mechanism in Potassium Alanate (KAlH4) and Enhancement by TiCl3 Doping. J PHYS CHEM C , 113 (16) 6845 - 6851. 10.1021/jp807184v.

Arnold, T and Payne, DJ and Bourlange, A and Hu, JP and Egdell, RG and Piper, LFJ and Colakerol, L and Masi, A and Glans, PA and Learmonth, T and Smith, KE and Guo, J and Scanlon, DO and Walsh, A and Morgan, BJ and Watson, GW (2009) X-ray spectroscopic study of the electronic structure of CuCrO2. PHYS REV B , 79 (7) , Article 075102. 10.1103/PhysRevB.79.075102.

Assem, E-S and Peh, KH and Wan, BY and Dines, J and Middleton, JB and Marson, CM (2009) Effects of a selection of histone deacetylase inhibitors on the antigen- and agonist(s)-induced tracheal smooth muscle contraction. Inflammation Research , 58 S22 - S23.

Axelsson, AK and Valant, M and Fenner, L and Wills, AS and Alford, NM (2009) Chemistry of post-annealing of epitaxial CoFe2O4 thin films. THIN SOLID FILMS , 517 (13) 3742 - 3747. 10.1016/j.tsf.2009.01.142.

B

Bawaked, S and Dummer, NF and Dimitratos, N and Bethell, D and He, Q and Kiely, CJ and Hutchings, GJ (2009) Solvent-free selective epoxidation of cyclooctene using supported gold catalysts. GREEN CHEM , 11 (7) 1037 - 1044. 10.1039/b823286p.

Baker, JR and Woolfson, DN and Muskett, F. W., and Stoneman, MD and Urbaniak, MD and Caddick, S (2009) Wiley encyclopedia of chemical biology (Protein-Small Molecule Interactions in Neocarzinostatin). In: Begley, TP and Sons, JW, (eds.) Wiley encyclopedia of chemical biology.

Banks, ST and Clary, DC (2009) Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H+CH4 -><- H-2+CH3. J CHEM PHYS , 130 (2) , Article 024106. 10.1063/1.3052076.

Banks, ST and Tautermann, CS and Remmert, SM and Clary, DC (2009) An improved treatment of spectator mode vibrations in reduced dimensional quantum dynamics: Application to the hydrogen abstraction reactions mu+CH4, H+CH4, D+CH4, and CH3+CH4. J CHEM PHYS , 131 (4) , Article 044111. 10.1063/1.3177380.

Barrett, AGM and Brinkmann, C and Crimmin, MR and Hill, MS and Hunt, P and Procopiou, PA (2009) Heavier Group 2 Metals and Intermolecular Hydroamination: A Computational and Synthetic Assessment. J AM CHEM SOC , 131 (36) 12906 - +. 10.1021/ja905615a.

Barrett, AGM and Casely, IJ and Crimmin, MR and Hill, MS and Lachs, JR and Mahon, MF and Procopiou, PA (2009) beta-Diketiminato Calcium and Magnesium Amides; Model Complexes for Hydroamination Catalysis. INORG CHEM , 48 (10) 4445 - 4453. 10.1021/ic900091x.

Barrett, AGM and Crimmin, MR and Hill, MS and Hitchcock, PB and Lomas, SL and Procopiou, PA and Suntharalingam, K (2009) Catalytic 2,3,4-hexatriene formation by terminal alkyne coupling at calcium. CHEM COMMUN (17) 2299 - 2301. 10.1039/b818848c.

Battaglia, G and Smart, TP and Mykhaylyk, OO and Ryan, AJ (2009) Polymersomes hydrophilic brush scaling relations. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY , 237

Beale, AM and Paul, M and Sankar, G and Oldman, RJ and Catlow, CRA and French, S and Fowles, M (2009) Combined experimental and computational modelling studies of the solubility of nickel in strontium titanate. J MATER CHEM , 19 (25) 4391 - 4400. 10.1039/b902591j.

Begis, G and Cladingboel, DE and Jerome, L and Motherwell, WB and Sheppard, TD (2009) Asymmetric Synthesis of Aminocyclopropanes and N-Cyclopropylamino Alcohols Through Direct Amidocyclopropanation of Alkenes Using Chiral Organozinc Carbenoids. EUR J ORG CHEM (10) 1532 - 1548. 10.1002/ejoc.200801033.

Benny, S and Grau-Crespo, R and de Leeuw, NH (2009) A theoretical investigation of alpha-Fe2O3-Cr2O3 solid solutions. PHYS CHEM CHEM PHYS , 11 (5) 808 - 815. 10.1039/b815907f.

Berteotti, A and Cavalli, A and Branduardi, D and Gervasio, FL and Recanatini, M and Parrinello, M (2009) Protein conformational transitions: the closure mechanism of a kinase explored by atomistic simulations. J Am Chem Soc , 131 (1) 244 - 250. 10.1021/ja806846q.

Binions, R and Afonja, A and Dungey, S and Lewis, D and Parkin, IP and Williams, DE (2009) Zeolite modification: Towards discriminating metal oxide gas sensors. ECS Transactions , 19 (6) 241 - 250.

Binions, R and Afonja, A and Dungey, S and Lewis, D and Parkin, IP and Williams, DE (2009) Zeotite Modification: Towards Discriminating Metal Oxide Gas Sensors. In: Li, J and Vanysek, P and Brown, R and BrucknerLea, C and Hatchet, D and Josowicz, M, (eds.) 35 YEARS OF CHEMICAL SENSORS - AN HONORARY SYMPOSIUM FOR PROFESSOR JIRI JANATA'S 70TH BIRTHDAY CELEBRATION. (pp. 241 - 250). ELECTROCHEMICAL SOCIETY INC

Binions, R and Afonja, A and Dungey, S and Lewis, DW and Parkin, IP and Williams, DE (2009) Discrimination Effects in Zeolite Modified Metal Oxide Semiconductor Gas Sensors. In: 2009 IEEE SENSORS, VOLS 1-3. (pp. 1044 - 1049). IEEE

Binions, R and Afonja, A and Dungey, S and Lewis, DW and Parkin, IP and Williams, DE (2009) Discrimination effects in zeolite modified metal oxide semiconductor gas sensors. Proceedings of IEEE Sensors 1090 - 1095.

Binions, R and Davies, H and Afonja, A and Dungey, S and Lewis, D and Williams, DE and Parkin, IP (2009) Zeolite-Modified Discriminating Gas Sensors. J ELECTROCHEM SOC , 156 (3) J46 - J51. 10.1149/1.3065436.

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). An open access version is available from UCL Discovery

Bishop, CL and Pan, D and Liu, LM and Tribello, GA and Michaelides, A and Wang, EG and Slater, B (2009) On thin ice: surface order and disorder during pre-melting. FARADAY DISCUSS , 141 277 - 292. 10.1039/b807377p.

Blackman, CS and Carmalt, CJ and Moniz, SJA and Potts, SE and Davies, HO and Pugh, DC (2009) MOCVD of zirconium oxide from the zirconium guanidinate complex |ZrCp′{2-(iPrN)2CNMe2}2Cl]. ECS Transactions , 25 (8 PART 1) 561 - 565.

Blackman, CS and Piccirillo, C and Binions, R and Parkin, IP (2009) Atmospheric pressure chemical vapour deposition of thermochromic tungsten doped vanadium dioxide thin films for use in architectural glazing. Thin Solid Films , 517 (16) 4565 - 4570. 10.1016/j.tsf.2008.12.050. An open access version is available from UCL Discovery

Blanazs, A and Massignani, M and Battaglia, G and Armes, SP and Ryan, AJ (2009) Tailoring Macromolecular Expression at Polymersome Surfaces. ADVANCED FUNCTIONAL MATERIALS , 19 (18) 2906 - 2914. 10.1002/adfm.200900201.

Borsenberger, V and Howorka, S (2009) Diene-modified nucleotides for the DielsAlder-mediated functional tagging of DNA. NUCLEIC ACIDS RES , 37 (5) 1477 - 1485. 10.1093/nar/gkn1066. An open access publication

Borsenberger, V and Kukwikila, M and Howorka, S (2009) Synthesis and enzymatic incorporation of modified deoxyuridine triphosphates. ORG BIOMOL CHEM , 7 (18) 3826 - 3835. 10.1039/b906956a.

Borsenberger, V and Mitchell, N and Howorka, S (2009) Chemically Labeled Nucleotides and Oligonucleotides Encode DNA for Sensing with Nanopores. J AM CHEM SOC , 131 (22) 7530 - +. 10.1021/ja902004s.

Bourlange, A and Payne, DJ and Palgrave, RG and Foord, JS and Egdell, RG and Jacobs, RMJ and Schertel, A and Hutchison, JL and Dobson, PJ (2009) Investigation of the growth of In2O3 on Y-stabilized ZrO2(100) by oxygen plasma assisted molecular beam epitaxy. THIN SOLID FILMS , 517 (15) 4286 - 4294. 10.1016/j.tsf.2008.11.134.

Bourlange, A and Payne, DJ and Palgrave, RG and Zhang, H and Foord, JS and Egdell, RG and Jacobs, RMJ and Veal, TD and King, PDC and McConville, CF (2009) The influence of Sn doping on the growth of In2O3 on Y-stabilized ZrO2(100) by oxygen plasma assisted molecular beam epitaxy. JOURNAL OF APPLIED PHYSICS , 106 (1) , Article ARTN 013703. 10.1063/1.3153966.

Braide-Azikiwe, DCB and Holt, KB and Williams, DE and Caruana, DJ (2009) Soap film electrochemistry. ELECTROCHEM COMMUN , 11 (6) 1226 - 1229. 10.1016/j.elecom.2009.04.006.

Branda, MM and Castellani, NJ and Grau-Crespo, R and de Leeuw, NH and Hernandez, NC and Sanz, JF and Neyman, KM and Illas, F (2009) On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO2(111). J CHEM PHYS , 131 (9) , Article 094702. 10.1063/1.3216102.

Brennan, JG and Sella, A (2009) Scandium, yttrium and the lanthanides. In: Specialist Periodical Reports: Organometallic Chemistry. (183 - 223). Royal Society of Chemistry

Briquet, L and Catlow, CRA and French, SA (2009) PHYS 426-Comparison of the adsorption of transition metals on alpha-alumina surfaces. ABSTR PAP AM CHEM S , 237 ? - ?.

Briquet, LGV and Catlow, CRA and French, SA (2009) Platinum Group Metal Adsorption on Clean and Hydroxylated Corundum Surfaces. J PHYS CHEM C , 113 (38) 16747 - 16756. 10.1021/jp904217b.

Bronstein, HA and Luscombe, CK (2009) Externally initiated regioregular P3HT with controlled molecular weight and narrow polydispersity. J Am Chem Soc , 131 (36) 12894 - 12895. 10.1021/ja9054977.

Brown, SL and Konkolewicz, D and Gray-Weale, A and Motherwell, WB and Perrier, S (2009) Searching for Stars: Selective Desulfurization and Fluorescence Spectroscopy as New Tools in the Search for Cross Termination Side-products in RAFT Polymerization. AUST J CHEM , 62 (11) 1533 - 1536. 10.1071/CH09242.

Bruce, IE and Mehta, L and Porter, MJ and Stein, BK and Tyman, JHP (2009) Anionic Surfactants Synthesised from Replenishable Phenolic Lipids. J SURFACTANTS DETERG , 12 (4) 337 - 344. 10.1007/s11743-009-1116-8.

C

Cabrera, RQ and Salamat, A and Barkalov, OI and Leynaud, O and Hutchins, P and Daisenberger, D and Machon, D and Sella, A and Lewis, DW and McMillan, PF (2009) Pressure-induced structural transformations of the Zintl phase sodium silicide. J SOLID STATE CHEM , 182 (9) 2535 - 2542. 10.1016/j.jssc.2009.06.037.

Carmalt, CJ and Knapp, CE and Potts, SE (2009) Molecular design of precursors for the CVD of metal oxides and nitrides. ABSTR PAP AM CHEM S , 237 ? - ?.

Chen, BQ and Evans, JRG (2009) Impact strength of polymer-clay nanocomposites. SOFT MATTER , 5 (19) 3572 - 3584. 10.1039/b902073j.

Chen, LF and Evans, JRG (2009) Arched Structures Created by Colloidal Droplets as They Dry. LANGMUIR , 25 (19) 11299 - 11301. 10.1021/la902918m.

Chen, MF and You, C and Li, SJ and Yang, R and Guo, ZX (2009) The Formation of Nanocrystallite Bone-Like Apatite on Chemically Treated Ti-24Nd-4Zr-7.9Sn Alloy. In: JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY. (pp. 1214 - 1217). AMER SCIENTIFIC PUBLISHERS

Chen, SY and Gong, XG and Walsh, A and Wei, SH (2009) Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se) photovoltaic absorbers: First-principles insights. APPL PHYS LETT , 94 (4) , Article 041903. 10.1063/1.3074499.

Chen, SY and Gong, XG and Walsh, A and Wei, SH (2009) Electronic structure and stability of quaternary chalcogenide semiconductors derived from cation cross-substitution of II-VI and I-III-VI2 compounds. PHYS REV B , 79 (16) , Article 165211. 10.1103/PhysRevB.79.165211.

Chen, SY and Yin, WJ and Yang, JH and Gong, XG and Walsh, A and Wei, SH (2009) Quaternary semiconductors with positive crystal field splitting: Potential high-efficiency spin-polarized electron sources. APPL PHYS LETT , 95 (5) , Article 052102. 10.1063/1.3193662.

Clegg, W and Conway, B and Garcia-Alvarez, P and Kennedy, AR and Mulvey, RE and Russo, L and Sassmannshausen, J and Tuttle, T (2009) Structural Tracking of the Potassium-Mediated Magnesiation of Anisole. CHEM-EUR J , 15 (41) 10702 - 10706. 10.1002/chem.200901897.

Coates, R and Coreno, M and DeSimone, M and Green, JC and Kaltsoyannis, N and Kerridge, A and Narband, N and Sella, A (2009) A mystery solved? Photoelectron spectroscopic and quantum chemical studies of the ion states of CeCp3+. DALTON T (30) 5943 - 5953. 10.1039/b902263e.

Colman, RH and Fennell, T and Ritter, C and Lau, G and Cava, RJ and Wills, AS (2009) Low temperature magnetic structure of the quasi 1-dimensional magnet Ni2SiO4. HIGHLY FRUSTRATED MAGNETISM 2008 (HFM 2008) , 145 , Article 012037. 10.1088/1742-6596/145/1/012037. An open access publication

Conde, MM and Vega, C and Tribello, GA and Slater, B (2009) The phase diagram of water at negative pressures: Virtual ices. J CHEM PHYS , 131 (3) , Article 034510. 10.1063/1.3182727.

Cook, KM and Hilton, ST and Mecinovic, J and Motherwell, WB and Figg, WD and Schofield, CJ (2009) Epidithiodiketopiperazines Block the Interaction between Hypoxia-inducible Factor-1 alpha (HIF-1 alpha) and p300 by a Zinc Ejection Mechanism. J BIOL CHEM , 284 (39) 26831 - 26838. 10.1074/jbc.M109.009498. An open access publication

Coombes, DS and Cora, F and Mellot-Draznieks, C and Bell, RG (2009) Sorption-Induced Breathing in the Flexible Metal Organic Framework CrMIL-53: Force-Field Simulations and Electronic Structure Analysis. J PHYS CHEM C , 113 (2) 544 - 552. 10.1021/jp809408x.

Cornet, SM and Haller, LJL and Sarsfield, MJ and Collison, D and Helliwell, M and May, I and Kaltsoyannis, N (2009) Neptunium(VI) chain and neptunium(VI/V) mixed valence cluster complexes. CHEM COMMUN (8) 917 - 919. 10.1039/b818973k.

Corr, MJ and Roydhouse, MD and Gibson, KF and Zhou, SZ and Kennedy, AR and Murphy, JA (2009) Amidine Dications as Superelectrophiles. J AM CHEM SOC , 131 (49) 17980 - 17985. 10.1021/ja908191k.

Coveney, PV and Atkinson, MP (2009) Crossing boundaries: computational science, e-Science and global e-Infrastructure INTRODUCTION. PHILOS T R SOC A , 367 (1897) 2425 - 2427. 10.1098/rsta.2009.0061.

Coveney, PV and Atkinson, MP (2009) Crossing boundaries: computational science, e-Science and global e-Infrastructure PREFACE. PHILOS T R SOC A , 367 (1898) 2621 - 2621. 10.1098/rsta.2009.0102.

Crick, CR and Parkin, IP (2009) A single step route to superhydrophobic surfaces through aerosol assisted deposition of rough polymer surfaces: duplicating the lotus effect. J MATER CHEM , 19 (8) 1074 - 1076. 10.1039/b820102c.

Crimmin, MR and Arrowsmith, M and Barrett, AGM and Casely, IJ and Hill, MS and Procopiou, PA (2009) Intramolecular Hydroamination of Aminoalkenes by Calcium and Magnesium Complexes: A Synthetic and Mechanistic Study. J AM CHEM SOC , 131 (28) 9670 - 9685. 10.1021/ja9003377.

Crimmin, MR and Barrett, AGM and Hill, MS and MacDougall, DJ and Mahon, MF and Procopiou, PA (2009) beta-Diketiminate C-H activation with heavier group 2 alkyls. DALTON T (44) 9715 - 9717. 10.1039/b917466b.

Cross, WB and Anderson, JC and Wilson, CS (2009) Nucleophilic reactivity of a d(0) molybdenum oxo moiety. DALTON T (7) 1201 - 1205. 10.1039/b817745g.

Cubillas, P and Castro, M and Jelfs, KE and Lobo, AJW and Slater, B and Lewis, DW and Wright, PA and Stevens, SM and Anderson, MW (2009) Spiral Growth on Nanoporous Silicoaluminophosphate STA-7 as Observed by Atomic Force Microscopy. CRYST GROWTH DES , 9 (9) 4041 - 4050. 10.1021/cg900255u.

Cucinotta, CS and Kosa, M and Melchiorre, P and Cavalli, A and Gervasio, FL (2009) Bifunctional catalysis by natural cinchona alkaloids: a mechanism explained. Chemistry , 15 (32) 7913 - 7921. 10.1002/chem.200900406.

D

Dimitratos, N and Lopez-Sanchez, JA and Anthonykutty, JM and Brett, G and Carley, AF and Tiruvalam, RC and Herzing, AA and Kiely, CJ and Knight, DW and Hutchings, GJ (2009) Oxidation of glycerol using gold-palladium alloy-supported nanocrystals. PHYS CHEM CHEM PHYS , 11 (25) 4952 - 4961. 10.1039/b904317a.

Dimitratos, N and Villa, A and Prati, L (2009) Liquid Phase Oxidation of Glycerol Using a Single Phase (Au-Pd) Alloy Supported on Activated Carbon: Effect of Reaction Conditions. CATAL LETT , 133 (3-4) 334 - 340. 10.1007/s10562-009-0192-8.

Dimitratos, N and Lopez-Sanchez, JA and Morgan, D and Carley, AF and Tiruvalam, R and Kiely, CJ and Bethell, D and Hutchings, GJ (2009) Solvent-free oxidation of benzyl alcohol using Au-Pd catalysts prepared by sol immobilisation. PHYS CHEM CHEM PHYS , 11 (25) 5142 - 5153. 10.1039/b900151b.

Dimitratos, N and Lopez-Sanchez, JA and Meenakshisundaram, S and Anthonykutty, JM and Brett, G and Carley, AF and Taylor, SH and Knight, DW and Hutchings, GJ (2009) Selective formation of lactate by oxidation of 1,2-propanediol using gold palladium alloy supported nanocrystals. GREEN CHEM , 11 (8) 1209 - 1216. 10.1039/b823285g.

Dimitratos, N and Lopez-Sanchez, JA and Hutchings, GJ (2009) Green Catalysis with Alternative Feedstocks. TOP CATAL , 52 (3) 258 - 268. 10.1007/s11244-008-9162-4.

Da Silva, JLF and Walsh, A and Wei, SH (2009) Theoretical investigation of atomic and electronic structures of Ga2O3(ZnO)(6). PHYS REV B , 80 (21) , Article 214118. 10.1103/PhysRevB.80.214118.

Da Silva, JLF and Walsh, A and Wei, SH and Lee, H (2009) Atomistic origins of the phase transition mechanism in Ge2Sb2Te5. J APPL PHYS , 106 (11) , Article 113509. 10.1063/1.3264883.

Daff, TD and Costa, D and Lisiecki, I and de Leeuw, NH (2009) Density Functional Theory Calculations of the Interaction of Hydrazine with Low-Index Copper Surfaces. J PHYS CHEM C , 113 (35) 15714 - 15722. 10.1021/jp904054n.

Daff, TD and Saadoune, I and Lisiecki, I and de Leeuw, NH (2009) Computer simulations of the effect of atomic structure and coordination on the stabilities and melting behaviour of copper surfaces and nano-particles. SURF SCI , 603 (3) 445 - 454. 10.1016/j.susc.2008.11.031.

Daniels, BG and Bikondoa, O and Thornton, G (2009) A surface X-ray diffraction study of TiO2(110)(3 x 1)-S. SURF SCI , 603 (13) 2015 - 2020. 10.1016/j.susc.2009.03.021.

Danopoulos, AA and Pugh, D and Smith, H and Sassmannshausen, J (2009) Structural and Reactivity Studies of "Pincer" Pyridine Dicarbene Complexes of Fe-0: Experimental and Computational Comparison of the Phosphine and NHC Donors. CHEM-EUR J , 15 (22) 5491 - 5502. 10.1002/chem.200900027.

Davies, Z. (2009) Application of representation theory to magnetic and structural phase transitions. Doctoral thesis, UCL (University College London). An open access version is available from UCL Discovery

Davies, ZL and Poole, A and Wills, AS (2009) Significance of phase difference in magnetism and the magneto-electric effect. HIGHLY FRUSTRATED MAGNETISM 2008 (HFM 2008) , 145 , Article 012072. 10.1088/1742-6596/145/1/012072. An open access publication

Day, GM and Cooper, TG and Cruz-Cabeza, AJ and Hejczyk, KE and Ammon, HL and Boerrigter, SXM and Tan, JS and Della Valle, RG and Venuti, E and Jose, J and Gadre, SR and Desiraju, GR and Thakur, TS and van Eijck, BP and Facelli, JC and Bazterra, VE and Ferraro, MB and Hofmann, DWM and Neumann, MA and Leusen, FJJ and Kendrick, J and Price, SL and Misquitta, AJ and Karamertzanis, PG and Welch, GWA and Scheraga, HA and Arnautova, YA and Schmidt, MU and van de Streek, J and Wolf, AK and Schweizer, B (2009) Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test. ACTA CRYSTALLOGR B , 65 107 - 125. 10.1107/S0108768109004066.

de Leeuw, NH (2009) Computer simulations of the interaction of water with complex mineral surfaces and clusters. ABSTR PAP AM CHEM S , 237 ? - ?.

de Leeuw, NH and Du, ZM (2009) Modelling the hydration, dissolution and crystallisation of alpha-quartz. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A276 - A276). PERGAMON-ELSEVIER SCIENCE LTD

Decraene, V and Rampaul, A and Parkin, IP and Petrie, A and Wilson, M (2009) Enhancement by Nanogold of the Efficacy of a Light-Activated Antimicrobial Coating. CURR NANOSCI , 5 (3) 257 - 261.

Deifallah, M.K. (2009) A computational study of the structure and properties of aluminophosphates and carbon nitrides. Doctoral thesis, UCL (University College London).

Desrat, S and van de Weghe, P (2009) Intramolecular Imino Diels-Alder Reaction: Progress toward the Synthesis of Uncialamycin. Journal of Organic Chemistry , 74 (17) 6728 - 6734. 10.1021/jo901291t. An open access version is available from UCL Discovery

Devey, AJ and Grau-Crespo, R and de Leeuw, NH (2009) DFT plus U study of the iron sulphide mineral greigite (Fe3S4). In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A287 - A287). PERGAMON-ELSEVIER SCIENCE LTD

Devey, AJ and Grau-Crespo, R and de Leeuw, NH (2009) Electronic and magnetic structure of Fe3S4: GGA+U investigation. PHYS REV B , 79 (19) , Article 195126. 10.1103/PhysRevB.79.195126.

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