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Afonja, A; Dungey, S; Binions, R; Parkin, IP; Lewis, DW; Williams, DE; (2009) Gas sensing properties of composite tungsten trioxide-zeolite thick films. ECS Transactions , 16 (24) pp. 77-84. 10.1149/1.3109634.

Aliev, AE; Bhandal, S; 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; Courtier-Murias, D; 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; Moise, J; Motherwell, WB; Nic, M; Courtier-Murias, D; 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; Sinclair, AJ; Zhou, S; Wilden, JD; Caddick, S; Kullmann, DM; 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; Austen, KF; 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.

Anderson, JC; Blake, AJ; Moreno, RB; Raynel, G; 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; Smith, NM; Robertson, M; 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; Greenwell, HC; Suter, JL; Coveney, PV; Thyveetil, MA; (2009) Determining materials properties of natural composites using molecular simulation. J MATER CHEM , 19 (39) 7251 - 7262. 10.1039/b909119j.

Apostolico, L; Kociok-Kohn, G; Molloy, KC; Blackman, CS; Carmalt, CJ; 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; Aguey-Zinsou, KF; Leardini, F; Ferrer, IJ; Fernandez, JF; Guo, ZX; 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; Payne, DJ; Bourlange, A; Hu, JP; Egdell, RG; Piper, LFJ; Colakerol, L; (2009) X-ray spectroscopic study of the electronic structure of CuCrO2. PHYS REV B , 79 (7) 10.1103/PhysRevB.79.075102.

Assem, E-S; Peh, KH; Wan, BY; Dines, J; Middleton, JB; 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; Valant, M; Fenner, L; Wills, AS; Alford, NM; (2009) Chemistry of post-annealing of epitaxial CoFe2O4 thin films. THIN SOLID FILMS , 517 (13) pp. 3742-3747. 10.1016/j.tsf.2009.01.142.

Barrett, AGM; Brinkmann, C; Crimmin, MR; Hill, MS; Hunt, P; 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; Casely, IJ; Crimmin, MR; Hill, MS; Lachs, JR; Mahon, MF; 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; Crimmin, MR; Hill, MS; Hitchcock, PB; Lomas, SL; Procopiou, PA; 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; Smart, TP; Mykhaylyk, OO; Ryan, AJ; (2009) Polymersomes hydrophilic brush scaling relations. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY , 237

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

Beale, AM; Jacques, SDM; Sacaliuc-Parvalescu, E; O'Brien, MG; Barnes, P; Weckhuysen, BM; (2009) An iron molybdate catalyst for methanol to formaldehyde conversion prepared by a hydrothermal method and its characterization. APPL CATAL A-GEN , 363 (1-2) pp. 143-152. 10.1016/j.apcata.2009.05.008.

Beale, AM; Paul, M; Sankar, G; Oldman, RJ; Catlow, CRA; French, S; 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; Cladingboel, DE; Jerome, L; Motherwell, WB; 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; Grau-Crespo, R; 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; Cavalli, A; Branduardi, D; Gervasio, FL; Recanatini, M; Parrinello, M; (2009) Protein conformational transitions: the closure mechanism of a kinase explored by atomistic simulations. J Am Chem Soc , 131 (1) pp. 244-250. 10.1021/ja806846q.

Binions, R; Afonja, A; Dungey, S; Lewis, D; Parkin, IP; Williams, DE; (2009) Zeolite modification: Towards discriminating metal oxide gas sensors. ECS Transactions , 19 (6) pp. 241-250. 10.1149/1.3118557.

Binions, R; Afonja, A; Dungey, S; Lewis, DW; Parkin, IP; Williams, DE; (2009) Discrimination effects in zeolite modified metal oxide semiconductor gas sensors. Proceedings of IEEE Sensors pp. 1090-1095. 10.1109/ICSENS.2009.5398566.

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

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

Blackman, CS; Carmalt, CJ; Moniz, SJA; Potts, SE; Davies, HO; Pugh, DC; (2009) MOCVD Of Zirconium Oxide From The Zirconium Guanidinate Complex [ZrCp '{eta(2)-((PrN)-Pr-i)(2)CNMe2}(2)Cl]. EUROCVD 17 / CVD 17 , 25 (8) pp. 561-565. 10.1149/1.3207640.

Blackman, CS; Piccirillo, C; Binions, R; 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. Green open access

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

Borsenberger, V; Howorka, S; (2009) Diene-modified nucleotides for the DielsAlder-mediated functional tagging of DNA. Nucleic Acids Research , 37 (5) 1477 - 1485. 10.1093/nar/gkn1066. Green open access

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

Borsenberger, V; Mitchell, N; 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; Payne, DJ; Palgrave, RG; Foord, JS; Egdell, RG; Jacobs, RMJ; Schertel, A; (2009) Investigation of the growth of In2O3 on Y-stabilized ZrO2(100) by oxygen plasma assisted molecular beam epitaxy. THIN SOLID FILMS , 517 (15) pp. 4286-4294. 10.1016/j.tsf.2008.11.134.

Bourlange, A; Payne, DJ; Palgrave, RG; Zhang, H; Foord, JS; Egdell, RG; Jacobs, RMJ; (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) 10.1063/1.3153966.

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

Branda, MM; Castellani, NJ; Grau-Crespo, R; de Leeuw, NH; Hernandez, NC; Sanz, JF; Neyman, KM; (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.

Bresme, F; Duffy, D; Woodley, S; (2009) Untitled. MOL SIMULAT , 35 (7) 531 - 531. 10.1080/08927020902906917.

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

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

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

Brown, SL; Konkolewicz, D; Gray-Weale, A; Motherwell, WB; 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; Mehta, L; Porter, MJ; Stein, BK; Tyman, JHP; (2009) Anionic Surfactants Synthesised from Replenishable Phenolic Lipids. J SURFACTANTS DETERG , 12 (4) 337 - 344. 10.1007/s11743-009-1116-8.

Buckeridge, J; Teweldeberhan, AM; Fahy, S; (2009) Vibrational mode shifts as a measure of local strain in the dilute nitride semiconductor alloy. Physical Review B , 79 (15) 10.1103/PhysRevB.79.153201.

Bučar, DK; Henry, RF; Lou, X; Duerst, RW; MacGillivray, LR; Zhang, GGZ; (2009) Cocrystals of caffeine and hydroxybenzoic acids composed of multiple supramolecular heterosynthons: Screening via solution-mediated phase transformation and structural characterization. Crystal Growth and Design , 9 (4) pp. 1932-1943. 10.1021/cg801178m.

Cabrera, RQ; Salamat, A; Barkalov, OI; Leynaud, O; Hutchins, P; Daisenberger, D; Machon, D; (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.

Caddick, S; Baker, JR; Woolfson, FW; Stoneman, RG; Urbaniak, MD; (2009) Protein-Small Molecule Interactions. Neocarzinostatin. Encyclopedia of Chemical Biology

Caddick, S; Fitzmaurice, R; (2009) Microwave enhanced synthesis. TETRAHEDRON , 65 (17) 3325 - 3355. 10.1016/j.tet.2009.01.105.

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

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

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

Chen, LMF; You, C; Li, SJ; Yang, R; Guo, ZX; (2009) The formation of nanocrystallite bone-like apatite on chemically treated Ti-24Nd-4Zr-7.9Sn alloy. Journal of Nanoscience and Nanotechnology , 9 (2) pp. 1214-1217. 10.1166/jnn.2009.C122.

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

Chen, SY; Gong, XG; Walsh, A; 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) 10.1103/PhysRevB.79.165211.

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

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

Coates, R; Coreno, M; DeSimone, M; Green, JC; Kaltsoyannis, N; Kerridge, A; Narband, N; (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; Fennell, T; Ritter, C; Lau, G; Cava, RJ; 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. Gold open access

Conde, MM; Vega, C; Tribello, GA; 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; Hilton, ST; Mecinovic, J; Motherwell, WB; Figg, WD; 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. Gold open access

Coombes, DS; Cora, F; Mellot-Draznieks, C; 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; Haller, LJL; Sarsfield, MJ; Collison, D; Helliwell, M; May, I; Kaltsoyannis, N; (2009) Neptunium(VI) chain and neptunium(VI/V) mixed valence cluster complexes. CHEM COMMUN (8) 917 - 919. 10.1039/b818973k.

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

Coveney, PV; 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; 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.

Cressina, E; Lloyd, AJ; De Pascale, G; Mok, BJ; Caddick, S; Roper, DI; Dowson, CG; (2009) Inhibition of tRNA-dependent ligase MurM from Streptococcus pneumoniae by phosphonate and sulfonamide inhibitors. BIOORGAN MED CHEM , 17 (9) 3443 - 3455. 10.1016/j.bmc.2009.03.028.

Crick, CR; 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; Arrowsmith, M; Barrett, AGM; Casely, IJ; Hill, MS; 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; Barrett, AGM; Hill, MS; MacDougall, DJ; Mahon, MF; Procopiou, PA; (2009) beta-Diketiminate C-H activation with heavier group 2 alkyls. DALTON T (44) 9715 - 9717. 10.1039/b917466b.

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

Cubillas, P; Castro, M; Jelfs, KE; Lobo, AJW; Slater, B; Lewis, DW; Wright, PA; (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; Kosa, M; Melchiorre, P; Cavalli, A; Gervasio, FL; (2009) Bifunctional catalysis by natural cinchona alkaloids: a mechanism explained. Chemistry , 15 (32) pp. 7913-7921. 10.1002/chem.200900406.

DUNNILL, C; Parkin, IP; (2009) N Titania Thin Films, Prepared by Atmospheric Pressure Chemical Vapor Deposition: Enhanced Visible Light Photocatalytic Activity and Antimicrobial Effects. ECS Meeting Abstracts , 902 (34) 2472-.

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

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

Daff, TD; Costa, D; Lisiecki, I; 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; Saadoune, I; Lisiecki, I; 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; Bikondoa, O; 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; Pugh, D; Smith, H; 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) pp. 5491-5502. 10.1002/chem.200900027.

Davies, ZL; Poole, A; 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. Gold open access

Day, GM; Cooper, TG; Cruz-Cabeza, AJ; Hejczyk, KE; Ammon, HL; Boerrigter, SXM; Tan, JS; (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.

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

Desrat, S; 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. Green open access

Devey, AJ; Grau-Crespo, R; 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.

Deyko, A; Lovelock, KRJ; Corfield, JA; Taylor, AW; Gooden, PN; Villar-Garcia, IJ; Licence, P; (2009) Measuring and predicting Delta H-vap(298) values of ionic liquids. PHYS CHEM CHEM PHYS , 11 (38) 8544 - 8555. 10.1039/b908209c.

Di Tommaso, D; de Leeuw, NH; (2009) Theoretical study of the dimerization of calcium carbonate in aqueous solution under natural water conditions. GEOCHIM COSMOCHIM AC , 73 (18) 5394 - 5405. 10.1016/j.gca.2009.06.003.

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

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

Dimitratos, N; Lopez-Sanchez, JA; Meenakshisundaram, S; Anthonykutty, JM; Brett, G; Carley, AF; Taylor, SH; (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; Lopez-Sanchez, JA; Morgan, D; Carley, AF; Tiruvalam, R; Kiely, CJ; Bethell, D; (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; Villa, A; 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.

Doubina, N; Stoddard, M; Bronstein, HA; Jen, AKY; Luscombe, CK; (2009) The effects of binding ligand variation on the nickel catalyzed externally initiated polymerization of 2-bromo-3-hexyl-5- iodothiophene. Macromolecular Chemistry and Physics , 210 (22) pp. 1966-1972. 10.1002/macp.200900375.

Douglas, KM; Price, SD; (2009) Studies of the fragmentation of the monocation and dication of methanol. J CHEM PHYS , 131 (22) , Article 224305. 10.1063/1.3266940.

Dunnill, CW; Aiken, ZA; Kafizas, A; Pratten, J; Wilson, M; Morgan, DJ; Parkin, IP; (2009) White light induced photocatalytic activity of sulfur-doped TiO2 thin films and their potential for antibacterial application. J MATER CHEM , 19 (46) 8747 - 8754. 10.1039/b913793a.

Dunnill, CW; Aiken, ZA; Pratten, J; Wilson, M; Parkin, IP; (2009) N-doped Titania Thin Films, Prepared by Atmospheric Pressure Chemical Vapour Deposition: Enhanced Visible Light Photocatalytic Activity and Anti-microbial Effects. EUROCVD 17 / CVD 17 , 25 (8) pp. 65-72. 10.1149/1.3207576.

Dunnill, CW; Parkin, IP; (2009) N-Doped Titania Thin Films Prepared by Atmospheric Pressure CVD using t-Butylamine as the Nitrogen Source: Enhanced Photocatalytic Activity under Visible Light. CHEM VAPOR DEPOS , 15 (7-9) 171 - +. 10.1002/cvde.200806274.

Dunnill, CWH; Aiken, ZA; Pratten, J; Wilson, M; Morgan, DJ; Parkin, IP; (2009) Enhanced photocatalytic activity under visible light in N-doped TiO2 thin films produced by APCVD preparations using t-butylamine as a nitrogen source and their potential for antibacterial films. J PHOTOCH PHOTOBIO A , 207 (2-3) 244 - 253. 10.1016/j.jphotochem.2009.07.024.

Dunnill, CWH; Aiken, ZA; Pratten, J; Wilson, M; Morgan, DJ; Parkin, IP; (2009) Enhanced photocatalytic activity under visible light in N-doped TiO2 thin films produced by APCVD preparations using t-butylamine as a nitrogen source and their potential for antibacterial films. Journal of Photochemistry and Photobiology A: Chemistry , 207 (2-3) pp. 244-253. 10.1016/j.jphotochem.2009.07.024.

Elacqua, E; Bučar, DK; Skvortsova, Y; Baltrusaitis, J; Lei Geng, M; MacGillivray, LR; (2009) Dramatic red-shifted fluorescence of [2.2]paracyclophanes with peripheral substituents attached to the saturated bridges. Organic Letters , 11 (22) pp. 5106-5109. 10.1021/ol901907j.

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Zwijnenburg, MA; Sokol, AA; Sousa, C; Bromley, ST; (2009) The effect of local environment on photoluminescence: A time-dependent density functional theory study of silanone groups on the surface of silica nanostructures. J CHEM PHYS , 131 (3) , Article 034705. 10.1063/1.3155083.

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

de Smit, E; Beale, AM; Nikitenko, S; Weckhuysen, BM; (2009) Local and long range order in promoted iron-based Fischer–Tropsch catalysts: A combined in situ X-ray absorption spectroscopy/wide angle X-ray scattering study. Journal of Catalysis , 262 (2) pp. 244-256. 10.1016/j.jcat.2008.12.021.

Book chapter

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

Baker, JR; Woolfson, DN; Muskett, F. W., ; Stoneman, MD; Urbaniak, MD; 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.

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

Howorka, S; Siwy, Z; (2009) Nanopores: Generation, engineering and single-molecule applications. In: Handbook of Single-Molecule Biophysics. (pp. 293-340). Springer: New York.

Kaltsoyannis, N; (2009) The effects of spin orbit coupling in heavy element chemistry. In: Solomon, EI and Scott, RA and King, RB, (eds.) Computational Inorganic and Bioinorganic Chemistry. (pp. 517-526). Wiley

PORTER, M; Skidmore, J; (2009) Asymmetric epoxidation of electron-deficient alkenes. In: Denmark, SE, (ed.) Organic reactions. (425 - 672). Wiley: Hoboken, New Jersey, US.

Proceedings paper

Almora-Barrios, N; 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

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

Devey, AJ; Grau-Crespo, R; 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

Di Tommaso, D; de Leeuw, NH; (2009) MeHCO3+ and MeCO3 (Me = Ca and Mg) species in aqueous solution: Insights from quantum mechanical calculations. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A294 - A294). PERGAMON-ELSEVIER SCIENCE LTD

Du, ZM; Robertson, M; De Leeuw, NH; (2009) A computational study of the immobilisation of arsenic in groundwater. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A307 - A307). PERGAMON-ELSEVIER SCIENCE LTD

Egglestone, SR; Axelrod, L; Nind, T; Turk, R; Wilkinson, A; Burridge, J; Fitzpatrick, G; (2009) A design framework for a home-based stroke rehabilitation system: Identifying the key components. In: (Proceedings) 3rd International ICST Conference on Pervasive Computing Technologies for Healthcare. European Alliance for Innovation Green open access

Greenwell, HC; Coveney, PV; (2009) Investigating organic-clay interactions. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A463 - A463). PERGAMON-ELSEVIER SCIENCE LTD

Haidar, AN; Abdallah, AE; (2009) Abstractions of Web Services. In: 2009 14TH IEEE INTERNATIONAL CONFERENCE ON ENGINEERING OF COMPLEX COMPUTER SYSTEMS (ICECCS). (pp. 182 - 191). IEEE

Haidar, AN; Abdallah, AE; (2009) Composition and Customization of Web Services Using Wrappers: A Formal Approach based on CSP. In: Breitman, K and Sterritt, R and Bohner, S, (eds.) 32ND ANNUAL IEEE SOFTWARE ENGINEERING WORKSHOP, PROCEEDINGS. (pp. 187 - 194). IEEE COMPUTER SOC

Hearnden, V; Battaglia, G; MacNeil, S; Murdoch, C; Thornhill, M; (2009) Penetration of polymersome drug and gene delivery nanoparticles into in vitro models of head and neck cancer and tissue engineered oral mucosa. In: (pp. p. 66).

Hewer, T; Nekovee, M; Coveney, PV; (2009) Parameter Exploration in Parallel for Dynamic Vehicular Network Efficiency. In: 2009 INTERNATIONAL CONFERENCE ON ADVANCES IN COMPUTATIONAL TOOLS FOR ENGINEERING APPLICATIONS. (pp. 16 - 20). IEEE

Hyett, G; Darr, JA; Mills, A; Parkin, IP; (2009) The Synthesis of Tantalum (V) Oxide Using Atmospheric Pressure Chemical Vapour Deposition for the Purposes of Photo-activated Water Splitting. In: EUROCVD 17 / CVD 17. (pp. 935 - 942).

Jacques, SDM; Leynaud, O; Strusevich, D; Stukas, P; Barnes, P; Sankar, G; Sheehy, M; (2009) Recent progress in the use of in situ X-ray methods for the study of heterogeneous catalysts in packed-bed capillary reactors. In: CATALYSIS TODAY. (pp. 204 - 212). ELSEVIER SCIENCE BV

King, HE; Stimpfl, M; De Leeuw, NH; Putnis, A; (2009) Dissociated water adsorption to stepped forsterite surfaces: Implications for planetary accretion. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A659 - A659). PERGAMON-ELSEVIER SCIENCE LTD


Pollington, SD; Enache, DI; Landon, P; Meenakshisundaram, S; Dimitratos, N; Wagland, A; Hutchings, GJ; (2009) Enhanced selective glycerol oxidation in multiphase structured reactors. In: CATALYSIS TODAY. (pp. 169 - 175). ELSEVIER SCIENCE BV

Raiber, EA; Tulone, C; Steed, E; Chain, BM; Tabor, AB; (2009) Optical imaging of the role of Cathepsin E in antigen processing. In: ABSTR PAP AM CHEM S. (pp. ? - ?). AMER CHEMICAL SOC

Saksena, RS; Boghosian, B; Fazendeiro, L; Kenway, OA; Manos, S; Mazzeo, MD; Sadiq, SK; (2009) Real science at the petascale. In: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. (pp. 2557 - 2571). ROYAL SOC

Sankar, G; Bras, W; (2009) Insights into the formation of microporous materials by in situ X-ray scattering techniques. In: CATALYSIS TODAY. (pp. 195 - 203). ELSEVIER SCIENCE BV

Sloot, PMA; Coveney, PV; Ertaylan, G; Muller, V; Boucher, CA; Bubak, M; (2009) HIV decision support: from molecule to man. In: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. (pp. 2691 - 2703). ROYAL SOC

Wang, Q; De Leeuw, NH; (2009) A computer simulation study of the thermodynamics of mixing in the (Ca, Mn)CO3 solid solution. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A1412 - A1412). PERGAMON-ELSEVIER SCIENCE LTD

Wills, AS; Perring, TG; Raymond, S; Fak, B; Henry, JY; Telling, M; (2009) Inelastic neutron scattering studies of the quantum frustrated magnet clinoatacamite, gamma-Cu-2(OD)(3)Cl, a proposed valence bond solid (VBS). In: Eremin, I and Brenig, W and Kremer, R and Litterst, J, (eds.) HIGHLY FRUSTRATED MAGNETISM 2008 (HFM 2008). (pp. ? - ?). IOP PUBLISHING LTD Gold open access

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

Conference item

Bar, P; Coti, C; Groen, D; Herault, T; Kravtsov, V; Schuster, A; Swain, M; (2009) Running parallel applications with topology-aware grid middleware. Presented at: UNSPECIFIED.

Chaitanya Kumar, S; Mathew, M; Volpe, G; Takayama, O; Valencia, A; (2009) El día de la luz - II (the day of light -II) - optics demonstration for high school students. Presented at: UNSPECIFIED.

Chen, MF; You, C; Li, SJ; Yang, R; Guo, ZX; (2009) The Formation of Nanocrystallite Bone-Like Apatite on Chemically Treated Ti-24Nd-4Zr-7.9Sn Alloy. Presented at: 6th International Conference on Nanoscience and Technology, Beijing, PEOPLES R CHINA.

Evans, JRG; (2009) Microextrusion freeforming is the solution; what was the problem? Presented at: 6th Millimetre-wave Users Group Meeting, National Physical Laboratory, Teddington, UK.

Groen, D; Harfst, S; Portegies Zwart, S; (2009) On the origin of grid species: The living application. Presented at: UNSPECIFIED.

Hewer, T; Nekovee, M; Coveney, PV; (2009) Parameter exploration in parallel for dynamic vehicular network efficiency. Presented at: UNSPECIFIED.

Hewer, TD; Nekovee, M; (2009) Congestion Reduction Using Ad-Hoc Message Dissemination in Vehicular Networks. Presented at: UNSPECIFIED.

Walsh, A; Wei, SH; Chen, SY; Gong, XG; (2009) DESIGN OF QUATERNARY CHALCOGENIDE PHOTOVOLTAIC ABSORBERS THROUGH CATION MUTATION. Presented at: 34th IEEE Photovoltaic Specialists Conference, Philadelphia, PA.

Yan, YF; Walsh, A; Da Silva, JLF; Wei, SH; Al-Jassim, M; (2009) STRUCTURAL, ELECTRONIC, AND OPTICAL PROPERTIES OF THE IN2O3(ZNO)(N) SYSTEM. Presented at: 34th IEEE Photovoltaic Specialists Conference, Philadelphia, PA.

Yang, S; Lu, X; Lee, Y; Hao, Y; Evans, JRG; Parini, CG; (2009) Metamaterials fabrication by solid freeform fabrication (Invited lecture). Presented at: International Conference on Advances in Functional Materials, 8-12 June, Jiuzhaiguo, P.R.China..


Adriaens, D.A.; (2009) Theoretical investigations of surface chemistry in space. Doctoral thesis, UCL (University College London). Green open access

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). Green open access

Davies, Z.; (2009) Application of representation theory to magnetic and structural phase transitions. Doctoral thesis, UCL (University College London). Green open access

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

Dines, J.; (2009) Synthesis of inhibitors of histone deacetylase. Doctoral thesis, UCL (University College London).

Geldeard, L.J.; (2009) Fundamental studies on 2,4,6-trichlorophenyl sulfonate esters. Doctoral thesis, UCL (University College London). Green open access

Greco, E.; (2009) Synthesis of self-assembly systems with multiple hydrogen bonding interactions. Doctoral thesis, UCL (University College London).

Jerome, L.; (2009) The generation and reactivity of functionalised organozinc carbenoids for cyclopropane synthesis. Doctoral thesis, UCL (University College London). Green open access

Jonasson, L.; (2009) Computational investigations of the electronic structure of molecular actinide compounds. Doctoral thesis, UCL (University College London). Green open access

Jones, N.; (2009) The spectroscopy of bound and predissociating Rydberg states of NO in external electric fields. Doctoral thesis, UCL (University College London). Green open access

Kato, Y.; (2009) Studies towards novel aldolase mimics. Doctoral thesis, UCL (University College London). Green open access

King, S.-J.; (2009) Studies of the dissociation and energetics of gaseous ions. Doctoral thesis, UCL (University College London). Green open access

Narband, N.; (2009) Nanoparticles and photosensitisers; their interactions and antibacterial properties. Doctoral thesis, UCL (University College London). Green open access

Page, K.; (2009) Photocatalytic thin films: their characterisation and antimicrobial properties. Doctoral thesis, UCL (University College London). Green open access

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). Green open access

Quesada Cabrera, R.; (2009) Molecular solids at high pressure. Doctoral thesis, UCL (University College London).

Targett, J.J.; (2009) The polymorphs and solvates of phenylbutazone and their phase transition behaviour. Masters thesis, UCL (University College London). Green open access

This list was generated on Sun Feb 7 07:18:41 2016 GMT.