UCL Discovery

A

Abraham, MH; (2003) Can we identify models for intestinal absorption, blood-brain barrier distribution and intestinal absorption? EUROQSAR DESIGNING DRUGS AND CROP PROTECTANTS : PROCESSES, PROBLEMS AND SOLUTIONS ED M FORD , D LIVINGSTONE , J DEARDEN AND H VAN DE WATERBEEMD , BLACKWELL , OXFORD pp. 5-7.

Abraham, MH; (2003) Can we identify models for intestinal absorption, blood-brain barrier distribution and intestinal absorption? In: Ford, M and Livingstone, D and Dearden, J and van de Waterbeemd, H, (eds.) EuroQSAR Designing drugs and crop protectants: processes, problems and solutions. (pp. 5-7). Blackwell: Oxford.

Abraham, MH; Hassanisadi, M; Jalali-Heravi, M; Ghafourian, T; Cain, WS; Cometto-Muniz, JE; (2003) Draize rabbit eye test compatibility with eye irritation thresholds in humans: a quantitative structure-activity relationship analysis. Toxicol Sci , 76 (2) pp. 384-391. 10.1093/toxsci/kfg242.

Abraham, MH; Zissimos, AM; Huddleston, JG; Willauer, HD; Rogers, RD; Acree, WE; (2003) Some novel liquid partitioning systems: Water-ionic liquids and aqueous biphasic systems. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH , 42 (3) pp. 413-418. 10.1021/ie020520y.

Aliev, AE; Law, RV; (2003) Solid-state NMR Spectroscopy. In: Specialist Periodical Report; Nuclear Magnetic Resonance. (pp. 238-308).

Allan, NL; Du, Z; Lavrentiev, MY; Blundy, JD; Purton, JA; van Westrenen, W; (2003) Atomistic simulation of mineral-melt trace-element partitioning. Physics of the Earth and Planetary Interiors , 139 (1-2) pp. 93-111. 10.1016/S0031-9201(03)00147-X.

Anderson, JC; Cran, JW; King, NP; (2003) Studies into diastereoselective Dotz benzannulations for the synthesis of axially chiral biaryls. TETRAHEDRON LETT , 44 (42) 7771 - 7774. 10.1016/j.tetlet.2003.08.096.

Anderson, JE; de Meijere, A; Kozhushkov, SI; Lunazzi, L; Mazzanti, A; (2003) Conformational Studies by Dynamic NMR. 95.1 Rotation Around the Adamantyl-Alkyl Bond. Remote Substituent Effect on Conformational Equilibrium. Journal of Organic Chemistry , 68 pp. 8494-8499.

Arce, AJ; Machado, R; De Sanctis, Y; Gonz lez, T; Atencio, R; Deeming, AJ; (2003) Reactions of the clusters [Os3(CO)10(MeCN)2)] and [Ru3(CO)12] with (2-aminophenyl)phosphine P(2-NH2C6H4)H2. A comparison of the reactivity of amino and phosphino groups with clusters. Inorganica Chimica Acta , 344 pp. 123-127.

Ashworth, TV; Pang, CL; Wincott, PL; Vaughan, DJ; Thornton, G; (2003) Imaging in situ cleaved MgO(100) with non-contact atomic force microscopy. In: APPLIED SURFACE SCIENCE. (pp. 2 - 5). ELSEVIER SCIENCE BV

Ashworth, TV; Pang, CL; Wincott, PL; Vaughan, DJ; Thornton, G; (2003) Imaging in-situ Cleaved MgO(100) with non-contact atomic force microscopy. Applied Surface Science , 210 pp. 2-5.

B

Ballou, R; Canals, B; Elhajal, M; Lacroix, C; Wills, AS; (2003) Models for ordering in the jarosites Kagome systems. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS , 262 (3) pp. 465-471. 10.1016/S0304-8853(03)00079-9.

Bangura, A; Coldea, A; Singleton, J; Ardavan, A; Klehe, AK; Akutsu-Sato, A; Akutsu, H; Bangura, A; Coldea, A; Singleton, J; Ardavan, A; Klehe, AK; Akutsu-Sato, A; Akutsu, H; Turner, SS; Day, P; - view fewer (2003) Magnetotransport Measurements on beta"-(BEDT-TTF)4[H3O)Ga(C2O4)3]C6H5NO2. Synthetic Metals , 137 pp. 1313-1314.

Beale, A; (2003) Novel low temperature preparation methods for mixed complex oxide catalysts and their characterisation via in situ SR techniques. Doctoral thesis, UCL.

Beale, AM; Sankar, G; (2003) In situ characterization of iron phosphate and bismuth molybdate catalysts prepared by hydrothermal methods: An EDXRD and combined XRD/XAS study. In: NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS. (pp. 504 - 508). ELSEVIER SCIENCE BV

Beale, AM; Sankar, G; (2003) In situ study of the formation of crystalline bismuth molybdate materials under hydrothermal conditions. CHEM MATER , 15 (1) 146 - 153. 10.1021/cm020463z.

Begis, G; Cladingboel, D; Motherwell, WB; (2003) The generation and trapping of organozinc carbenoids from N-diethoxymethyl amides: a new amidocyclopropanation reaction. CHEM COMMUN (21) 2656 - 2657. 10.1039/b309887g.

Binions, R; Carmalt, CJ; Parkin, IP; (2003) Tin Phosphide Coatings from the Atmospheric Pressure Chemical Vapour Depoaition of SnCl4 and PCychexxH3-x. Presented at: Chemical Vapour Deposition XVI and EuroCVD 14.

Blackman, C.S.; Carmalt, C.J.; O'Neill, S.A.; Parkin, I.P.; Molloy, K.C.; Apostolico, L.; (2003) Chemical vapour deposition of group Vb metal phosphide thin films. Journal of Materials Chemistry , 13 (8) pp. 1930-1935. 10.1039/b304084b.

Blackman, CS; Carmalt, CJ; Manning, TD; O'Neill, SA; Parkin, IP; Apostolico, L; Molloy, KC; (2003) Dual-source atmospheric pressure CVD of amorphous molybdenum phosphide films on glass using molybdenum(v) chloride and cyclohexylphosphine. CHEM VAPOR DEPOS , 9 (1) 10 - +.

Blackman, CS; Carmalt, CJ; Manning, TD; O'Neill, SA; Parkin, IP; Apostolico, L; Molloy, KC; (2003) Dual-source atmospheric pressure CVD of amorphous molybdenum phosphide films on glass using molybdenum(v) chloride and cyclohexylphosphine. Chemical Vapor Deposition , 9 (1) pp. 10-13. 10.1002/cvde.200290000.

Blackman, CS; Carmalt, CJ; O'Neill, SA; Parkin, IP; Molloy, KC; Apostolico, L; (2003) Chemical vapour deposition of group Vb metal phosphide thin films. J MATER CHEM , 13 (8) 1930 - 1935. 10.1039/b304084b.

Blackman, CS; Carmalt, CJ; O'Neill, SA; Parkin, IP; Molloy, KC; Apostolico, L; (2003) Titanium Phosphide Coatings From the Atmospheric Pressure CVD Reaction of TiCl4 with PRxH3-x (R = Cyhex; or R = SiMe3 where x-3). Presented at: Chemical Vapour Deposition XVI and EuroCVD 14.

Blackman, CS; Carmalt, CJ; Parkin, IP; O'Neill, SA; Molloy, KC; Apostolico, L; (2003) Chemical vapour deposition of crystalline thin films of tantalum phosphide. MATER LETT , 57 (18) 2634 - 2636. 10.1016/S0167-577X(02)01341-1.

Boehm, M; Roessli, B; Schefer, J; Wills, AS; Ouladdiaf, B; Lelievre-Berna, E; Staub, U; Boehm, M; Roessli, B; Schefer, J; Wills, AS; Ouladdiaf, B; Lelievre-Berna, E; Staub, U; Petrakovskii, GA; - view fewer (2003) Complex magnetic ground state of CuB2O4. PHYS REV B , 68 (2) 10.1103/PhysRevB.68.024405.

Boek, ES; Chin, J; Coveney, PV; (2003) Lattice Boltzmann simulation of the flow of non-Newtonian fluids in porous media. INTERNATIONAL JOURNAL OF MODERN PHYSICS B , 17 (1&2) pp. 99-102.

Boghosian, BM; Love, PJ; Coveney, PV; Karlin, IV; Succi, S; Yepez, J; (2003) Galilean-invariant lattice-Boltzmann models with H theorem. PHYS REV E , 68 (2) , Article 025103. 10.1103/PhysRevE.68.025103.

Boulet, P; Bowden, AA; Coveney, PV; Whiting, A; (2003) Combined experimental and theoretical investigations of clay polymer nanocomposites: intercalation of single bifunctional organic compounds in Na+-montmorillonite and Na+-hectorite clays for the design of new materials. J MATER CHEM , 13 (10) pp. 2540-2550. 10.1039/b307758g.

Boulet, P; Greenwell, HC; Coveney, PV; Bowden, AA; Whiting, A; Chen, BQ; Evans, JRG; (2003) Large-scale simulations of propylene oxide amine-Na+ montmorillonite and propylene oxide ammonium Na+ montmorillonite using a MD approach. Presented at: International Conference on Nanomaterials and Nanomanufacturing, IoMMM, London, December 2003.

Bowden, AA; Boulet, P; Greenwell, HC; Chen, BQ; Evans, JRG; Coveney, PV; (2003) Cation exchanged montmorillonite-polyalkylene oxide nanocomposites. Presented at: International Conference on Nanomaterials and Nanomanufacturing, IoMMM, London, December 2003.

Braithwaite, JS; Wright, K; Catlow, CRA; (2003) A theoretical study of the energetics and IR frequencies of hydroxyl defects in forsterite. J GEOPHYS RES-SOL EA , 108 (B6) , Article 2284. 10.1029/2002JB002126.

Branford, WR; Clowes, SK; Bugoslavsky, YV; Miyoshi, Y; Cohen, LF; Berenov, AV; MacManus-Driscoll, JL; Branford, WR; Clowes, SK; Bugoslavsky, YV; Miyoshi, Y; Cohen, LF; Berenov, AV; MacManus-Driscoll, JL; Rager, J; Roy, SB; - view fewer (2003) Effect of chemical substitution on the electronic properties of highly aligned thin films of Sr(2-x)A(x)FeMoO(6) (A=Ca, Ba, La; x=0, 0.1). Journal of Applied Physics , 94 (7) pp. 4714-4716.

Bromley, ST; Catlow, CRA; Maschmeyer, T; (2003) Computational modeling of active sites in heterogeneous catalysts. CATTECH , 7 (5) 164 - 175.

Bromley, ST; Zwijnenburg, MA; Maschmeyer, T; (2003) Fully coordinated silica nanoclusters: (SiO2)(N) molecular rings. PHYS REV LETT , 90 (3) , Article 035502. 10.1103/PhysRevLett.90.035502.

Bromley, ST; Zwijnenburg, MA; Maschmeyer, T; (2003) Two-ring vibrational modes on silica surfaces investigated via fully coordinated nanoclusters. SURF SCI , 539 (1-3) L554 - L559. 10.1016/S0039-6028(03)00813-6.

Brooke, JM; Coveney, PV; Harting, J; Jha, S; Pickles, SM; Pinning, RL; Porter, AR; (2003) Computational steering in RealityGrid. Proceedings of the UK e-Science All Hands Meeting 2003

Brown, WA; (2003) NO, CN and 02 on metal surfaces. In: Bonzel, HP, (ed.) Physics of Covered Solid Surfaces. (pp. 302-361). Springer Verlag

Burgio, L; Clark, RJH; Martin, G; Pantos, E; Roberts, MA; (2003) A multidisciplinary approach to pigment analysis: King's Yellow and Dragon's Blood from the Winsor and Newton Pigment Box at the Victoria and Albert Museum. In: Tsoucaris, G and Lipowski, J, (eds.) Molecular and Structural Archaeology: Cosmetic and Therapeutic Chemicals. (pp. 61-72). Kluwer: Dordrecht.

Butler, AR; Ridd, JH; (2003) Formation of nitric oxide from nitrous acid in ischaemic tissue and skin. Nitric Oxide , 10 pp. 20-24.

C

Cai, Y; Roberts, BP; (2003) Carbon-carbon bond formation by radical addition-fragmentation reactions of O-tert-alkyl enols and O-cyclopropylcarbinyl enols. Tetrahedron Letters , 44 pp. 4645-4648.

Cai, Y; Roberts, BP; (2003) Vicinal Alkylation-Carboxymethylation of Electron-Poor Alkenes by Radical-Chain Reactions with O-Alkyl O-Silyl Ketene Acetals and their [3+2] Annulation by Reaction with O-Cyclopropylcarbinyl O-Silyl Ketene Acetals. Tetrahedron Letters , 45 pp. 1485-1488.

Carano, M; Holt, KB; Bard, AJ; (2003) Scanning Electrochemical Microscopy. 49. Gas-Phase Scanning Electrochemical Microscopy Measurements with a Clark Oxygen Ultramicroelectrode. Analytical Chemistry , 75 (19) pp. 5071-5079.

Carling, SG; Hautot, D; Day, P; (2003) Crystal Structures and Physical Properties of the Layered Molecular Ferromagnets A[M(II)Fe(III)(C2O2S2)3]; (M=Mn,Co,Ni). Polyhedron , 22 pp. 2317-2324.

Carmalt, C.J.; Newport, A.; Parkin, I.P.; Mountford, P.; Sealey, A.J.; Dubberley, S.R.; (2003) Synthesis of TiN thin films from titanium imido complexes. Journal of Materials Chemistry , 13 (1) pp. 84-87. 10.1039/b208271n.

Carmalt, CJ; Dinnage, CW; Parkin, IP; Peters, ES; Molloy, K; Colucci, MA; (2003) The use of hexamethyldisilathiane for the synthesis of transition metal sulfides. POLYHEDRON , 22 (9) 1255 - 1262. 10.1016/S0277-5387(03)00114-1.

Carmalt, CJ; Mileham, JD; White, AJP; Williams, DJ; (2003) Reactivity of GaX33 with silylamines and thermal decomposition of the compounds [Cl2Ga{NH(SiMe3)}](2) and [Cl3Ga{NH(SiMe3)(2)}]. DALTON T (22) 4255 - 4260. 10.1039/b307763m.

Carmalt, CJ; Mileham, JD; White, AJP; Williams, DJ; (2003) Synthesis and characterization of organoaluminum silylamido complexes. ORGANOMETALLICS , 22 (7) 1554 - 1557. 10.1021/om020969r.

Cates, ME; Holmes, CB; Fuchs, M; Henrich, O; (2003) Schematic mode coupling theories for shear thinning, shear thickening, and jamming. "Unifying Concepts in Granular Media and Glasses", Eds. A Coniglio, A Fierro, HJ Herrmann and M Nicodemi, pp 203-216, Elsevier, Amsterdam 2004.

Chabanis, G; Parkin, IP; Williams, DE; (2003) A simple equivalent circuit model to represent microstructure effects on the response of semiconducting oxide-based gas sensors. MEAS SCI TECHNOL , 14 (1) 76 - 86.

Champion, JDM; Harris, MJ; Holdsworth, PCW; Wills, AS; Balakrishnan, G; Bramwell, ST; Cizmar, E; Champion, JDM; Harris, MJ; Holdsworth, PCW; Wills, AS; Balakrishnan, G; Bramwell, ST; Cizmar, E; Fennell, T; Gardner, JS; Lago, J; McMorrow, DF; Orendac, M; Orendacova, A; Paul, D; Smith, RI; Telling, MTF; Wildes, A; - view fewer (2003) Er2Ti207: Evidence of order by disorder in a frustrated quantum antiferromagnet. Physical Review B , 68 020401-020404.

Champion, JDM; Harris, MJ; Holdsworth, PCW; Wills, AS; Balakrishnan, G; Bramwell, ST; Cizmar, E; Champion, JDM; Harris, MJ; Holdsworth, PCW; Wills, AS; Balakrishnan, G; Bramwell, ST; Cizmar, E; Fennell, T; Gardner, JS; Lago, J; McMorrow, DF; Orendac, M; Orendacova, A; Paul, DM; Smith, RI; Telling, MTF; Wildes, A; - view fewer (2003) Er2Ti2O7: Evidence of quantum order by disorder in a frustrated antiferromagnet. PHYS REV B , 68 (2) , Article 020401. 10.1103/PhysRevB.68.020401.

Charlton, AK; Daniels, CR; Acree, WE; Abraham, MH; (2003) Solubility of crystalline nonelectrolyte solutes in organic solvents: Mathematical correlation of acetylsalicylic acid solubilities with the Abraham general solvation model. JOURNAL OF SOLUTION CHEMISTRY , 32 (12) pp. 1087-1102. 10.1023/B:JOSL.0000023923.12017.a8.

Chen, BQ; Evans, JRG; Greenwell, HC; Bowden, AA; Boulet, P; Coveney, PV; Whiting, A; (2003) Polymer-clay nanocomposites: synthesis, processing and testing. Presented at: International Conference on Nanomaterials and Nanomanufacturing, IoMMM, London, December 2003.

Clark, RJH; (2003) Pigment identification, Raman Microscopy and the Arts/Science Interface: a tribute to Walter McCrone. Microscopy and Microanalysis , 9 pp. 166-167.

Cometto-Muñiz, JE; Cain, WS; Abraham, MH; (2003) Quantification of chemical vapors in chemosensory research. Chem Senses , 28 (6) pp. 467-477.

Cross, WB; Parkin, IP; (2003) Aerosol assisted chemical vapour deposition of tungsten oxide films from polyoxotungstate precursors: active photocatalysts. CHEM COMMUN (14) 1696 - 1697. 10.1039/b303800a.

D

Dang, HS; Roberts, BP; Sekhon, J; Smits, TM; (2003) Deoxygenation of carbohydrates by thiol-catalysed radical-chain redox rearrangement of the derived benzylidene acetals. Organic and Biomolecular Chemistry , 1 pp. 1330-1341.

Daniels, CR; Charlton, AK; Wold, RM; Acree, WE; Abraham, MH; (2003) Thermochemical behavior of dissolved carboxylic acid solutes: Solubilities of 3-methylbenzoic acid and 4-chlorobenzoic acid in organic solvents. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE , 81 (12) pp. 1492-1501. 10.1139/V03-169.

Day, P; (2003) BEDT–TTF charge-transfer salts: new structures, new functionalities. Comptes Rendus Chimie , 6 (3) pp. 301-308. 10.1016/S1631-0748(03)00044-4.

De Fabritiis, G; Coveney, PV; (2003) Dynamical geometry for multiscale dissipative particle dynamics. COMPUT PHYS COMMUN , 153 (2) 209 - 226. 10.1016/S0010-4655(03)00199-1.

Decreau, RA; Marson, CM; Smith, KE; Behan, JM; (2003) Production of malodorous steroids from androsta-5,16-dienes and androsta-4,16-dienes by Corynebacteria and other human axillary bacteria. J STEROID BIOCHEM , 87 (4-5) 327 - 336. 10.1016/j.jsbmb.2003.09.005.

Dimitratos, N; Vedrine, JC; (2003) Properties of Cs-2.5 salts of transition metal M substituted Keggin-type M1-xPV1MxMo11-xO40 heteropolyoxometallates in propane oxidation. APPL CATAL A-GEN , 256 (1-2) 251 - 263. 10.1016/S0926-860X(03)00405-8.

Dimitratos, N; Vedrine, JC; (2003) Role of acid and redox properties on propane oxidative dehydrogenation over polyoxometallates. In: CATALYSIS TODAY. (pp. 561 - 571). ELSEVIER SCIENCE BV

Dimitratos, N; Vedrine, JC; (2003) Selective oxidation of propane on Cs2.5H1.5PV1WxMo11-xO40 heteropolyoxometallate compounds. In: Jackson, SD and Hargreaves, JSJ and Lennon, D, (eds.) CATALYSIS IN APPLICATION. (pp. 145 - 152). ROYAL SOC CHEMISTRY

Dong, J; Deslippe, J; Sankey, OF; Soignard, E; McMillan, PF; (2003) Theoretical study of the ternary spinel nitride system Si3N4 - Ge3N4. Physical Review B , 67 (9) 094104-.

Dong, J; Deslippe, J; Sankey, OF; Soignard, E; McMillan, PF; (2003) Theoretical study of the ternary spinel nitride system Si3N4-Ge3N4. Physical Review B - Condensed Matter and Materials Physics , 67 (9) pp. 941041-941047.

de Leeuw, NH; Cooper, TG; (2003) A computational study of the surface structure and reactivity of calcium fluoride. J MATER CHEM , 13 (1) 93 - 101. 10.1039/b208004d.

E

Enomoto, K; Clarke, ED; Abraham, MH; (2003) Linear solvation energy relationships: determination of Abraham solvation descriptors and their application to the prediction of physico-chemical properties of agrochemicals. In: Ford, M and Livingstone, D and Dearden, J and van de Waterbeemd, H, (eds.) EuroQSAR Designing.drugs and crop protectants: processes, problems and solutions. (pp. 20-22). Blackwell: Oxford.

Ensing, B; Gervasio, FL; Laio, A; Parrinello, M; Klein, ML; (2003) Ab initio molecular dynamics study of the E2 and Sn2 reaction between X-+CH3CH2Y. Abstracts of Papers of the American Chemical Society , 226 U303 - U303.

Ewing, MB; Sanchez-Ochoa, JC; (2003) The vapour pressures of n-octane determined using comparative ebulliometry. Fluid Phase Equilibria , 210 (2) pp. 277-285.

F

Fois, E; Gamba, A; Tilocca, A; (2003) On the unusual stability of Maya blue paint: molecular dynamics simulations. MICROPOR MESOPOR MAT , 57 (3) 263 - 272.

Foster, MD; Friedrichs, OD; Bell, RG; Paz, FAA; Klinowski, J; (2003) Structural evaluation of systematically enumerated hypothetical uninodal zeolites. ANGEW CHEM INT EDIT , 42 (33) 3896 - 3899. 10.1002/anie.200351556.

G

Ganellin, CR; Leurquin, F; Akinleminu, TT; Halai, S; Zhao, YH; Stark, H; Schunak, W; Ganellin, CR; Leurquin, F; Akinleminu, TT; Halai, S; Zhao, YH; Stark, H; Schunak, W; Ligneau, X; Arrang, J; Schwartz, J; - view fewer (2003) Design of potent non-imidazole histamine H3-receptor antagonists. Presented at: UNSPECIFIED.

Gawler, K.S.; Boakes, G.; Rowley, D.M.; (2003) Kinetic studies of the gas phase INO2 self-reaction. Physical Chemistry Chemical Physics , 5 (17) pp. 3632-3637. 10.1039/b303757f.

Gbahou, R; Rouleau, A; Morisset, S; Parmentier, R; Crochet, S; Lin, J; Ligneau, X; Gbahou, R; Rouleau, A; Morisset, S; Parmentier, R; Crochet, S; Lin, J; Ligneau, X; Tardivel-Lacombe, J; Stark, H; Schunack, W; Ganellin, CR; Schwartz, JC; Arrang, JM; - view fewer (2003) UNSPECIFIED Presented at: Protean agonism at histamine H3 receptors in vitro and in vivo.

Gervasio, FL; Laio, A; Iannuzzi, M; Parrinello, M; (2003) Mechanism of oxidative damage to DNA. European Biophysics Journal , 32 (3) 208 - 208.

Gervasio, FL; Schettino, V; Mangani, S; Krack, M; Carloni, P; Parrinello, M; (2003) Influence of outer-shell metal ligands on the structural and electronic properties of horse liver alcohol dehydrogenase zinc active site. Journal of Physical Chemistry B , 107 (28) pp. 6886-6892.

Gomes de Sousa, FC; Evans, JRG; (2003) Sintered hydroxyapatite latticework for bone substitute. Journal of the American Ceramic Society , 86 pp. 517-519.

Goumans, TPM; Ehlers, AW; Lammertsma, KL; Wurthwein, EU; (2003) endo/exo preferences for double bonds in three-membered rings including phosphorus compounds. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (15) pp. 2941-2946. 10.1002/ejoc.200300120.

Goumans, TPM; Ehlers, AW; van Hemert, MC; Rosa, A; Baerends, EJ; Lammertsma, KL; (2003) Photodissociation of the Phosphine-Substituted Transition Metal Carbonyl Complexes Cr(CO)5L and Fe(CO)4L: A Theoretical Study. Journal of the American Chemical Society , 125 (12) pp. 3558-3567. 10.1021/ja029135q.

Grabmann, S; Apelt, J; Sippl, W; Ligneau, X; Pertz, HH; Zhao, YH; Arrang, JM; Grabmann, S; Apelt, J; Sippl, W; Ligneau, X; Pertz, HH; Zhao, YH; Arrang, JM; Ganellin, CR; Schwartz, JC; Schunack, W; Stark, H; - view fewer (2003) Inidazole Derivatives as a Novel Class of Hybrid Compounds with Inhibitory Histamine N-Methyltransferase Potencies and Histamine hH3 Receptor Affinities. Bioorganic and Medicinal Chemistry , 11 pp. 2163-2174.

Greenwell, HC; Stackhouse, S; Coveney, PV; Jones, W; (2003) A density functional theory study of catalytic trans-esterification by tert-butoxide MgAl anionic clays. J PHYS CHEM B , 107 (15) 3476 - 3485. 10.1021/jp027663i.

Grida, I; Evans, JRG; (2003) Extrusion freeforming of ceramics through fine nozzles. Journal of the European Ceramic Society , 23 pp. 629-635.

Griffiths, JP; Brown, RJ; Day, P; Vital, B; Wallis, JD; (2003) Synthesis of Bis(ethylenedithio)tetrathaifulvalene Derivatives with Metal Ion Ligating Centres. Tetrahedron , 44 pp. 3127-3131.

H

Hale, KJ; Domostoj, MM; Irving, E; Scheinmann, F; (2003) Molecules and Analogues of the Agelastatin Family of Antitumour and GSK-3b-Inhibiting Alkaloids I and II.

Hale, KJ; Domostoj, MM; Tocher, DA; Irving, E; Scheinmann, F; (2003) Enantiospecific formal total synthesis of the tumor and GSK-3β inhibiting alkaloid, (-)-agelastatin A. Organic Letters , 5 (16) pp. 2927-2930. 10.1021/ol035036l.

Hale, KJ; Frigerio, M; Manaviazar, S; (2003) A New Abridged Synthesis of the Masamune Bryostatin 7 "Southern Hemisphere" Intermediate. ORGANIC LETTERS , 5 pp. 503-505.

Halla, J.D.; Mamak, M.; Williams, D.E.; Ozin, G.A.; (2003) Meso-SiO2–C12EO10OH–CF3SO3H — a novel proton-conducting solid electrolyte. Advanced Functional Materials , 13 (2) pp. 133-138. 10.1002/adfm.200390019.

Harting, J; Wan, S; Coveney, PV; (2003) RealityGrid:high performance computing, visualisation, computational steering and teragrids. Capability Computing: The newsletter of the HPCx community (2) pp. 4-7.

Hervig, RL; Mazdab, FK; Moore, G; McMillan, PF; (2003) Analyzing hydrogen (H2O) in silicate glass by secondary ion mass spectrometry and reflectance Fourier transform infrared spectroscopy. In: UNSPECIFIED (pp. 83-103).

Holt, KB; Forryan, C; Compton, RG; Foord, JS; Marken, F; (2003) Anodic activity of boron-doped diamond electrodes in bleaching processes: effects of ultrasound and surface states. New Journal of Chemistry , 27 (4) pp. 698-703.

Hurley, CA; Hailes, HC; Tabor, AB; Hart, SL; (2003) Complexes for the Delivery of Biologically-Active Material to Cells. 2003094974.

I

Ingram, CU; Dalby, PA; Hailes, HC; Lye, GJ; Ward, J; (2003) Engineering and directed evolution of multi-step biocatalytic pathways in bacteria. In: (Proceedings) 11th European Congress on Biotechnology. : Basel, Switzerland.

Ingram, CU; Dalby, PA; Hailes, HC; Lye, GJ; Ward, J; (2003) Engineering and directed evolution of multi-step biocatalytic pathways in bacteria. In: (Proceedings) Enzyme Engineering XVII. : Santa Fe, New Mexico, USA.

J

Jenkins, S; Kirk, SR; Côté, AS; Ross, DK; Morrison, I; (2003) Dependence of the normal modes on the electronic structure of various phases of ice as calculated by ab initio methods. Canadian Journal of Physics , 81 (1-2) pp. 225-231. 10.1139/p03-007.

Joel, SP; Marson, CM; Savy, P; (2003) Histone deacetylase inhibitors.

Johnson, M; O'Connor, D; Barnes, P; Catlow, CRA; Owens, SL; Sankar, G; Bell, R; Johnson, M; O'Connor, D; Barnes, P; Catlow, CRA; Owens, SL; Sankar, G; Bell, R; Teat, SJ; Stephenson, R; - view fewer (2003) Cation exchange, dehydration, and calcination in clinoptilolite: <i>In Situ</i> X-ray diffraction and computer modeling. The Journal of Physical Chemistry B , 107 (4) pp. 942-951. 10.1021/jp021672.

Jones, MD; Raja, R; Thomas, JM; Johnson, BFG; Lewis, DW; Rouzaud, J; Harris, KDM; (2003) Enhancing the Enantioselectivity of Novel Homogeneous Organometallic Hydrogenation Catalysts. Angewandte Chemie , 115 (36) pp. 4462-4467. 10.1002/ange.200250861.

K

KALTSOYANNIS, N; (2003) Quantum Inorganic Chemistry. Presented at: UNSPECIFIED.

Kaltsoyannis, N; (2003) Recent developments in computational actinide chemistry. CHEM SOC REV , 32 (1) 9 - 16. 10.1039/b204253n.

Kearney, D; Price, SD; (2003) Bond-forming and electron transfer reactivity of CF22+ with H2X (X=O,S). Physical Chemistry Chemical Physics , 5 pp. 1575-1583.

Kearney, D.; Price, S.D.; (2003) Bond-forming and electron transfer reactions following collisions of CF22+ with H2X (X€‰=€‰O, S). Physical Chemistry Chemical Physics , 5 (8) pp. 1575-1583. 10.1039/b212349e.

Keen, DA; Hull, S; Barnes, AC; Berastegui, P; Crichton, WA; Madden, PA; Tucker, MG; Keen, DA; Hull, S; Barnes, AC; Berastegui, P; Crichton, WA; Madden, PA; Tucker, MG; Wilson, M; - view fewer (2003) Nature of the superionic transition in Ag+ and Cu+ halides. Physical Review B , 68 014117-11.

Kern, OT; Motherwell, WB; (2003) A novel isocyanide based three component reaction. CHEM COMMUN (24) 2988 - 2989. 10.1039/b310962c.

Koudriachova, M; Harrison, NM; de Leeuw, SW; (2003) A New Phase of Lithiated Titania. Chemical Physics Letters , 371 (1-2) pp. 150-156. 10.1016/S0009-2614(03)00156-8.

Koudriachova, M.V.; de Leeuw, S.W.; Harrison, N.M.; (2003) A new phase of lithiated titania predicted from first principles. Chemical Physics Letters , 371 (1-2) pp. 150-156. 10.1016/S0009-2614(03)00156-8.

Krug, S; Evans, JRG; Blomacher, M; ter Maat, JHH; (2003) Methods of assessing the time to remove binder from powder injection mouldings. International Journal of Powder Metallurgy , 39 (6) pp. 35-43.

Kuznetsov, MV; Borovinskaya, IP; Morozov, Y; Parkin, IP; (2003) SHS off Pure and alkaline-earth substited rare-eath perovskites. Presented at: UNSPECIFIED.

Kuznetsov, MV; Morozov, Y; Parkin, IP; (2003) Zero and applied field SHS of Complex oxides in-situ experiments, SEM/EDAX and Mssbauer measurements. Presented at: UNSPECIFIED.

Kuznetsov, MV; Morozov, YG; Parkin, IP; Affleck, L; (2003) Zero and applied field SHS of complex oxides: in-situ experiments, SEM/EDAX and M”ssbauer measurements. Presented at: Electron Microscopy and Analysis Group Conference 2003.

Kuznetsov, MV; Morozov, YG; Parkin, IP; Kvick, A; (2003) UNSPECIFIED Presented at: 'SHS reactions in external large magnetic fields: TRXRD experiments, novel microstructure and magnetic properties in ferrites'. In Russian-French Workshop on SHS, Chernogolovka, Russia, 6-8 October.

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Ladlow, M; Legge, CH; Neudeck, T; Pipe, AJ; Sheppard, T; Yang, LL; (2003) Wavelength dependent photo-controlled differential release of compounds from solid phase resin. Chemical Communications , 9 (16) pp. 2048-2049.

Lappas, A; Wills, AS; Green, MA; Prassides, K; Kurmoo, M; (2003) Magnetic ordering in the rutile molecular magnets M-II[N(CN)(2)](2) (M=Ni, Co, Fe, Mn, Ni0.5Co0.5, and Ni0.5Fe0.5). PHYS REV B , 67 (14) , Article 144406. 10.1103/PhysRevB.67.144406.

Lewis, TC; Tocher, DA; Day, GM; Price, SL; (2003) A computational and experimental search for polymorphs of parabanic acid - a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl ester. CRYSTENGCOMM 3 - 9. 10.1039/b211784c.

Lindsay, R; Michelangeli, E; Daniels, BG; Polcik, M; Verdini, A; Floreano, A; Morgante, A; Lindsay, R; Michelangeli, E; Daniels, BG; Polcik, M; Verdini, A; Floreano, A; Morgante, A; Muscat, J; Harrison, NM; Thornton, G; - view fewer (2003) Surface to Bulk Charge Transfer at an Alkali Metal/Metal Oxide Interface. Surface Science Letters , 547 L859 - L864.

Love, P.J.; Nekovee, M.; Coveney, P.V.; Chin, J.; González-Segredo, N.; Martin, J.M.R.; (2003) Simulations of amphiphilic fluids using mesoscale lattice-Boltzmann and lattice-gas methods. Computer Physics Communications , 153 (3) p. 340. 10.1016/S0010-4655(03)00200-5.

Love, PJ; Nekovee, M; Coveney, PV; Chin, J; Gonzalez-Segredo, N; Martin, JMR; (2003) Simulations of amphiphilic fluids using mesoscale lattice-Boltzmann and lattice-gas methods. COMPUT PHYS COMMUN , 153 (3) 340 - 358. 10.1016/S0010-4655(03)00200-5.

M

Macmillan, D; Daines, AM; (2003) Recent developments in the synthesis and discovery of oligosaccharides and glycoconjugates for the treatment of disease. Curr Med Chem , 10 (24) pp. 2733-2773.

Mamak, M; Metraux, GS; Petrov, S; Coombs, N; Ozin, GA; Green, MA; (2003) Lanthanum Strontium Manganite/Yttria-Stabilized Zirconia Nanocomposites Derived From a Surfactant Assisted Co-assembled Mesoporous Phase. Journal of the American Chemical Society , 125 pp. 5161-5175. 10.1021/ja027881p.

Manning, TD; Parkin, IP; (2003) Tungsten Doped Vanadium Oxide Thin Films by Atmospheric Pressure Chemical Vapour Deposition. Presented at: Chemical Vapour Deposition XVI and EuroCVD 14.

Marson, CM; Pink, JH; Hall, D; Hursthouse, MB; Malik, A; Smith, C; (2003) An asymmetric synthesis of Aza analogues of the tricyclic skeleton of daphnane and the ABC ring system of phorbol. J ORG CHEM , 68 (3) 792 - 798. 10.1021/jo0205816.

Mas-Torrent, M; Turner, SS; Wurst, K; Vidal-Gancuedo, R; X, V; J, D; P, R; Mas-Torrent, M; Turner, SS; Wurst, K; Vidal-Gancuedo, R; X, V; J, D; P, R; C, ; - view fewer (2003) Bulk spontaneous Magnetisation in the Radical Cation Salt TMTTF[Cr(NCS)4(isoquinoline)]. Inorganic Chemistry , 42 pp. 7544-7549.

Mas-Torrent, M; Turner, SS; Wurst, K; Vidal-Gaucedo, J; Veciana, J; Day, P; Rovira, C; (2003) New Molecular Charge Transfer Salts of TMTTF and BMDT-TTF with Thiocyanato- and Selenocyanato-complex Anions. European Journal of Inorganic Chemistry pp. 720-725.

McMillan, PF; (2003) New materials from high pressure experiments: Challenges and opportunities. High Pressure Research , 23 (1-2 SP) pp. 7-22.

McMillan, PF; Deb, SK; Dong, JJ; (2003) High-pressure metastable phase transitions in β-Ge3N 4 studied by Raman spectroscopy. Journal of Raman Spectroscopy , 34 (7-8) pp. 567-577.

McMillan, PF; Wilson, M; Wilding, MC; (2003) Polyamorphism in aluminate liquids. Journal of Physics Condensed Matter , 15 (36) pp. 6105-6121. 10.1088/0953-8984/15/36/303.

Meneau, F; Cristol, S; Sankar, G; Dolbnya, IP; Bras, W; Catlow, CRA; Thomas, JM; Meneau, F; Cristol, S; Sankar, G; Dolbnya, IP; Bras, W; Catlow, CRA; Thomas, JM; Greaves, GN; - view fewer (2003) In situ study of the formation of CdS nanoparticles by small-angle X-ray scattering. JOURNAL OF APPLIED CRYSTALLOGRAPHY , 36 (1) 718 - 721. 10.1107/S0021889803000219.

Meneau, F; Sankar, G; Morgante, N; Cristol, S; Catlow, CRA; Thomas, JM; Greaves, GN; (2003) Characterization of zinc oxide nanoparticles encapsulated into zeolite-Y: An in-situ combined X-ray diffraction, XAFS, and SAXS study. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS , 199 499 - 503.

Meneau, F; Sankar, G; Morgante, N; Winter, R; Catlow, CRA; Greaves, GN; Thomas, JM; (2003) Following the formation of nanometer-sized clusters by time-resolved SAXS and EXAFS techniques. FARADAY DISCUSS , 122 203 - 210. 10.1039/b203142f.

Miko, T; Ligneau, X; Pertz, HH; Ganellin, CR; Arrang, JM; Schwartz, JC; Schunack, W; Miko, T; Ligneau, X; Pertz, HH; Ganellin, CR; Arrang, JM; Schwartz, JC; Schunack, W; Stark, H; - view fewer (2003) Novel Nonimidazole Histamine H3 Receptor Antagonists: 1-(4-(Phenoxymethyl)benzyl)piperidines and Related Compounds. Journal of Medicinal Chemistry , 46 pp. 1523-1530.

Mohebi, MM; Evans, JRG; (2003) A Combinatorial Ink-jet Printer for Ceramics; Calibration. Journal of the American Ceramic Society , 86 (10) pp. 1654-1661. 10.1111/j.1151-2916.

Morrall, P; Schedin, F; Case, GS; Thomas, MF; Dudzik, E; Van der Lan, G; Thornton, G; (2003) Stoichiometry of Fe3-deltaO4(111) Ultrathin films on Pt (111). Physical Review B , 67 214408-.

Morrall, P; Schedin, F; Langridge, S; Bland, J; Thomas, MF; Thornton, G; (2003) Magnetic Moment in an Ultrathin Magnetite Film. Journal of Applied Physics , 93 pp. 7960-7962.

Mukerji, RJ; Bolina, AS; Brown, WA; (2003) A RAIRS and TPD investigation of the adsorption of CO on Pt{211}. SURF SCI , 527 (1-3) 198 - 208. 10.1016/S0039-6028(03)00027-X.

Mukerji, RJ; Bolina, AS; Brown, WA; (2003) An investigation of the effect of pre-dosed O atoms on the adsorption of NO on Pt{211}. SURF SCI , 547 (1-2) 27 - 44. 10.1016/j.susc.2003.09.034.

N

Narduzzo, A; Ardavan, A; Coldea, A; Singleton, J; Akutsu-Sato, A; Akutsu, H; Turner, SS; Narduzzo, A; Ardavan, A; Coldea, A; Singleton, J; Akutsu-Sato, A; Akutsu, H; Turner, SS; Day, P; - view fewer (2003) Millimtre-Wave Response of the Novel Organic Superconductors beta"-ET4[(H3O)M(C2O4)3]S (M=Fe;S=C6H5CN,C6H5NO2). Synthetic Metals , 137 pp. 1225-1226.

Narenjkar, J; Assem, EK; Ganellin, CR; (2003) Inhibition of the Anitgen-Induced Activation of RBL-2H3 Cells by Cetiedil and Some of its Analogues. European Journal of Pharmacology pp. 107-116.

O

O'Neill, SA; Clark, RJH; Parkin, IP; Elliott, N; Mills, A; (2003) Anatase thin films on glass from the chemical vapor deposition of titanium(IV) chloride and ethyl acetate. CHEM MATER , 15 (1) 46 - 50. 10.1021/cm020707f.

O'Neill, SA; Parkin, IP; Clark, RJH; Mills, A; Elliott, N; (2003) Atmospheric pressure chemical vapour deposition of titanium dioxide coatings on glass. J MATER CHEM , 13 (1) 56 - 60. 10.1039/b206080a.

Odlyha, M; Cohen, NS; Foster, GM; Aliev, A; Verdonck, E; Grandy, D; (2003) Dynamic Mechanical Analysis (DMA), 13C Solid State NMR and Micro-Thermomechanical Studies of Historical Parchment. Journal of Thermal Analysis and Calorimetry , 71 pp. 939-950.

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Pan, F; Li, K; Tang, A; Wang, Y; Zhang, J; Guo, ZX; (2003) Influence of High Energy Ball Milling on the Carbothermic Reduction of Ilmenite. Materials Science Forum , 437-43 pp. 105-108.

Pan, FS; Peng, J; Tang, A; Zhang, J; Liu, Q; Guo, ZX; (2003) Effects of additional rolling and annealing on the cube texture in the high-purity aluminum foils for capacitors. ADVANCED MATERIALS PROCESSING II MATERIALS SCIENCE FORUM , 437 pp. 455-458.

Pankhurst, QA; Parkin, IP; (2003) Chemical reactions in applied magnetic fields. In: Miller, JS and Drillon, M, (eds.) Magnetism: Molecules to Materials IV. (pp. 467-481). Weinheim: Wiley-VCH

Pearson, JF; Fraser, GW; Whitford, CH; Siggel-King, MRF; Quinn, FM; Thornton, G; (2003) The development of a fast imagining electron detector based on the CODACON concept. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment , 513 (1-2) pp. 183-186. 10.1016/j.nima.2003.08.028.

Perry, JSA; Price, SD; (2003) Detection of Rovibrationally Excited H2 Formed Through the Heterogeneous Recombination of H Atoms on a Cold HopG Surface. Astrophysics and Space Science , 285 pp. 769-776.

Pilkington-Miksa, MA; Tabor, AB; Hart, SL; Hailes, HC; Writer, M; Shamlou, PA; Sarkhar, S; (2003) Synthesis of Unusual Integrin-Binding Peptides for Inclusion into LID Transfection Complexes. Presented at: UNSPECIFIED.

Polas, A; Wilton-Ely, JDET; Slawin, AMZ; Foster, DF; Steynberg, PJ; Green, MJ; Cole-Hamilton, DJ; (2003) Limonene-derived phosphines in the cobalt catalysed hydroformylation of alkenes. Dalton Transactions (24) pp. 4669-4677. 10.1039/b310233e.

Powell, HS; (2003) Heroes of Labour. Art Margins

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Pratola, F; Simons, SJR; Jones, AG; Brunsteiner, M; Price, SL; (2003) Towards a Fundamental Understanding of the Mechanic of Crystal Agglomeration: A Microscopic and Molecular Approach. Presented at: 4th International Conference on Conveying and Handling of Particulate Solids..

Price, SD; (2003) Investigating the gas-phase chemical reactions of molecular dications. Physical Chemistry Chemical Physics , 5 pp. 1717-1729.

R

Rampaul, A; Parkin, IP; O'Neill, SA; DeSouza, J; Mills, A; Elliott, N; (2003) Titania and tungsten doped titania thin films on glass; active photocatalysts. POLYHEDRON , 22 (1) 35 - 44.

S

SANKAR, G; (2003) Nanostructured catalysts. In: Scott, SL and Crudden, CM and Jones, CW, (eds.) Nanostructured catalysts. Springer

Saadoune, I; Cora, F; Alfredsson, M; Catlow, CRA; (2003) Computational study of the structural and electronic properties of dopant ions in microporous AlPOs. 2. Redox catalytic activity of trivalent transition metal ions. J PHYS CHEM B , 107 (13) 3012 - 3018. 10.1021/jp027286+.

Salzmann, CG; Kohl, I; Loerting, T; Mayer, E; Hallbrucker, A; (2003) Pure ices IV and XII from high-density amorphous ice. CAN J PHYS , 81 (1-2) 25 - 32. 10.1139/P02-071.

Salzmann, CG; Kohl, I; Loerting, T; Mayer, E; Hallbrucker, A; (2003) Raman spectroscopic study on hydrogen bonding in recovered ice IV. J PHYS CHEM B , 107 (12) 2802 - 2807. 10.1021/jp021534k.

Salzmann, CG; Kohl, I; Loerting, T; Mayer, E; Hallbrucker, A; (2003) The low-temperature dynamics of recovered ice XII as studied by differential scanning calorimetry: a comparison with ice V (vol 5, pg 3507, 2003). PHYS CHEM CHEM PHYS , 5 (16) 3565 - 3565.

Salzmann, CG; Kohl, I; Loerting, T; Mayer, E; Hallbrucker, A; (2003) The low-temperature dynamics of recovered ice XII as studied by differential scanning calorimetry: a comparison with ice V. PHYS CHEM CHEM PHYS , 5 (16) 3507 - 3517. 10.1039/b305624d.

Sanchez-Sanchez, M; Sankar, G; Simperler, A; Bell, RG; Catlow, CRA; Thomas, JM; (2003) The extremely high specificity of N-methyldicyclohexylamine for the production of the large-pore microporous AFI material. CATAL LETT , 88 (3-4) 163 - 167.

Sankar, G; Thomas, JM; Catlow, CRA; Barker, CM; Gleeson, D; Kaltsoyannis, N; (2003) The three-dimensional structure of the titanium-centered active site during steady-state catalytic epoxidation of alkenes. The Journal of Physical Chemistry B , 107 (8) p. 1932.

Sankar, G; Thomas, JM; Catlow, CRA; Barker, CM; Gleeson, D; Kaltsoyannis, N; (2003) The three-dimensional structure of the titanium-centred active site during steady-state catalytic epoxidation of alkenes. The Journal of Physical Chemistry B , 107 (8) p. 1932.

Sarkar, S; Zhang, H; Levy, MS; Hart, SL; Hailes, HC; Tabor, AB; Shamlou, PA; (2003) Impact of biophysical and chemical properties of non-viral vector formulation on cell transfection. Presented at: AIChE Annual Conference.

Sarkar, S; Zhang, H; Levy, SM; Hart, SL; Hailes, HC; Tabor, AB; Shamlou, PA; (2003) Prediction of size distribution of lipid-peptide-DNA vector particles using Monte Carlo simulation techniques. Biotechnology and Applied Biochemistry , 38 (1) pp. 95-102. 10.1042/BA20030073.

Schiller, UD; (2003) Analysis and Comparison of Algorithms for Training Recurrent Neural Networks. Masters thesis, UNSPECIFIED.

Schiller, UD; Steil, JJ; (2003) On the weight dynamics of recurrent learning. In: (pp. pp. 73-78).

Scott, RJW; Yang, SM; Coombs, N; Ozin, GA; Williams, DE; (2003) Engineered Sensitivity of Structured Tin Dioxide Chemical Sensors: Opaline Architectures with Controlled Necking. Advanced Functional Materials , 13 (3) pp. 225-231. 10.1002/adfm.200390034.

Sella, A; Brennan, JG; (2003) Scandium, Yttrium, and the Lanthanides. In: Specialist Periodical Reports: Organometallic Chemistry. (85 - 111). Royal Society of Chemistry

Shang, C; Bououdina, M; Guo, ZX; (2003) Structural stability and dehydrogenation of (MgH2+Al, Nb) powder mixtures during mechanical alloying. Materials Transactions , 44 (11) pp. 2356-2362.

Shang, CX; Bououdina, M; Guo, ZX; (2003) Direct mechanical synthesis and characterisation of Mg2Fe(Cu)H6. Journal of Alloys and Compounds , 356-35 pp. 626-629. 10.1016/S0925-8388(03)00273-1.

Shang, CX; Bououdina, M; Guo, ZX; (2003) Structural stability of mechanically alloyed (Mg + 10 Nb) and (MgH2 + 10 Nb) powder mixtures. Journal of Alloys and Compounds , 349 (1-2) pp. 217-223. 10.1016/S0925-8388(02)00920-9.

Sharma, A; Berenov, A; Rager, J; Branford, W; Bugoslavsky, Y; Cohen, LF; MacManus-Driscoll, JL; (2003) Enhanced intergrain magnetoresistance in bulk Sr2FeMoO6 through controlled processing. Applied Physics Letters , 83 (12) pp. 2384-2386.

Shi, Z; Guo, ZX; (2003) Modelling of binder removal from a (fibre+powder) composite pre-form. Acta Materialia , 51 (4) pp. 899-909. 10.1016/S1359-6454(02)00479-2.

Skar, J; Coveney, PV; (2003) "Self-organization: the quest for the origin and evolution of structure" Proceedings of the 2002 Nobel Symposium on self-organization. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 361 (1807)

Skar, J; Coveney, PV; (2003) Self-organization: the quest for the origin and evolution of structure. Proceedings of the 2002 Nobel Symposium on self-organization. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 361 (1807)

Snoek, LC; van Mourik, T; Carcabel, P; Simons, JP; (2003) Neurotransmitters in the gas phase: hydrated noraddrenaline. PCCP , 5 pp. 4519-4526.

Snoek, LC; van Mourik, T; Simons, JP; (2003) Neurotransmitters in the gas phase: a computational and spectroscopic study of noradrenaline. Molecular Physics , 101 (9) pp. 1239-1248.

Soignard, E; McMillan, PF; Chaplin, TD; Farag, S; Bull, CL; Somayazulu, M; Leinenweber, K; (2003) High-ressure synthesis and study of low-compressibility molybdenum nitride (MoN and MoN [1-x] ) phases. Physical Review B , 68 pp. 132101-132104.

Spano, E; Hamad, S; Catlow, CRA; (2003) Computational evidence of bubble ZnS clusters. J PHYS CHEM B , 107 (38) 10337 - 10340. 10.1021/jp035508d.

Spiers, H; Parkin, IP; Pankhurst, QA; Carruana, D; (2003) Thermal imaging studies of SHS - Progression of the synthesis wave by means of heat islands. Presented at: UNSPECIFIED.

Spiers, H; Parkin, IP; Pankhurst, QA; Green, M; (2003) Time Resolved X-Ray Diffraction of the SHS of Magnesium Zinc Ferrites (Mg x ZN1-xFe2O3). Presented at: UNSPECIFIED.

Stearns, LA; Gryko, J; Diefenbacher, J; Ramachandran, GK; McMillan, PF; (2003) Synthesis and characterization of lithium monosilicide (LiSi), a low-dimensional silicon-based material. Journal of Solid State Chemistry , 173 pp. 251-258.

Sugano, T; Blundell, SJ; Hayes, W; Day, P; (2003) Magnetism in Organic Radical Ion Salts Based on Nitronyl Nitroxides Substituted with heterocyclic aromatic Hydrocarbons. Polyhedron , 22 pp. 2343-2348.

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Tafadar, N; Price, SD; (2003) Bond-forming reactivity between CF32+ and H2/D2. International Journal of Mass Spectrometry , 223-22 pp. 547-560.

Tay, BY; Evans, JRG; Edirisinghe, MJ; (2003) Solid freeform fabrication of ceramics. INT MATER REV , 48 (6) 341 - 370. 10.1179/095066003225010263.

Thornton, G; (2003) Watching Nanoparticles Grow. Science , 300 pp. 1378-1379.

Tilbrook, DA; Pearson, GJ; Braden, M; Coveney, PV; (2003) Prediction of polymerisation shrinkage using molecular modelling. Journal of Polymer Science Part B: Polymer Physics , 41 528-.

Tilocca, A; Gamba, A; Fois, E; (2003) New insight into the stability of Maya Blue paint from computer simulations. (Science and Supercomputing at Cineca: 2003 Report , pp. 141- ). CINECA: Italy.

Tilocca, A; Selloni, A; (2003) Reaction pathway and free energy barrier for defect-induced water dissociation on the (101) surface of TiO2-anatase. J CHEM PHYS , 119 (14) 7445 - 7450. 10.1063/1.1607306.

Tine, S; Williams, DA; Clary, DC; Farebrother, AJ; Fisher, AJ; Meijer, AJHM; Rawlings, JMC; Tine, S; Williams, DA; Clary, DC; Farebrother, AJ; Fisher, AJ; Meijer, AJHM; Rawlings, JMC; Davis, CJ; - view fewer (2003) Observational indicators of formation excitation of H-2. ASTROPHYS SPACE SCI , 288 (3) 377 - 389.

Tocher, DA; Drew, MGB; Chowdhury, S; Purkayastha, P; Datta, D; (2003) Mixed ligand binuclear copper(I) complexes containing (Cu2N8)-N-I chromophores. Observation of emissions from MLCT excited states involving two different ligands. INDIAN J CHEM A , 42 (3) 484 - 492.

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Valko, K; Nunhuck, S; Bevan, C; Abraham, MH; Reynolds, DP; (2003) Fast gradient HPLC method to determine compounds binding to human serum albumin. Relationships with octanol/water and immobilized artificial membrane lipophilicity. J Pharm Sci , 92 (11) pp. 2236-2248. 10.1002/jps.10494.

Varnardou, D; Pemble, ME; Sheel, DW; Manning, TD; Parkin, IP; (2003) Characterization of vanadium oxide films prepared by atmospheric pressure chemical vapour deposition. Presented at: Chemical Vapour Deposition XVI and EuroCVD 14.

W

Walker, AM; Wright, K; Slater, B; (2003) A computational study of oxygen diffusion in olivine. PHYS CHEM MINER , 30 (9) 536 - 545. 10.1007/s00269-003-0358-7.

Willitsch, S; Merkt, F; (2003) Characterization of the X<sup>2</sup>A<sub>1</sub>(0,0,0) ground vibronic state of CH<sub>2</sub><sup>+</sup> by pulsed-field-ionization zero-kinetic-energy photoelectron spectroscopy. The Journal of Chemical Physics , 118 (5) pp. 2235-2241. 10.1063/1.1531619.

Wills, AS; Detlefs, C; Canfield, PC; (2003) A study of magnetic ordering in the rare-earth borocarbides using Representational Analysis: the interplay between Fermi surface nesting, magnetostriction and CEF Effects. Philosophical Magazine , 83 pp. 1227-1228.

Wilson, M; (2003) Nucleation and growth of polytypic-layered crystals from the network liquid zinc chloride. Journal of Chemical Physics , 118 (21) pp. 9838-9853. 10.1063/1.1570391.

Wilson, M; McMillan, PF; (2003) Crystal-liquid phase relations in silicon at negative pressure. Physical Review Letters , 90 (13)

Wolthers, M; Charlet, L; van der Weijden, CH; (2003) Arsenic sorption onto disordered mackinawite as a control on the mobility of arsenic in the ambient sulphidic environment. Journal de Physique IV (Proceedings) , 107 1377 - 1380. 10.1051/jp4:20030558.

Wolthers, MVH; van der Gaast, SJ; Rickard, D; (2003) The structure of disordered mackinawite. American Mineralogist , 88 (11-12) 2007 - 2015.

Woodley, SM; Battle, PD; Gale, JD; Catlow, CRA; (2003) In situ study of the formation of CdS nanoparticles by small-angle X-ray scattering. Chemistry of Materials , 15 (8) pp. 1669-1675.

Woodley, SM; Gale, JD; Battle, PD; Catlow, CRA; (2003) Oxygen ion migration in orthorhombic LaMnO3-delta. J CHEM PHYS , 119 (18) 9737 - 9744. 10.1063/1.1615759.

Wright, K; Ed Catlow, CRA; (2003) Modelling point defects and diffusion in Earth material. Computational Materials Science , NATO S

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Yang, S; Evans, JRG; (2003) Computer control of powder flow for solid freeforming by acoustic modulation. Powder Technology , 133 pp. 251-254. 10.1016/S0032-5910(03)00088-3.

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Zeinalipour-Yazdi, C; Gonzalez, J; Peterson, KI; Pullman, DP; (2003) On the interpretation of graphite images obtained by STM. Presented at: Abstracts of Papers of the American Chemical Society, New York City.

Zenonos, C; Sankar, G; Garcia-Martinez, J; Aliev, A; Beale, AM; (2003) Direct hydrothermal conversion of high-silica faujausite and zeolite beta to ZSM-5 and its catalytic performance. CATAL LETT , 86 (4) 279 - 283.

Zhang, J; Pan, F; Guo, ZX; Ding, PD; Wang, LY; (2003) Development of Alloy Compounds in Zr-free Magnesium Alloys. Heat Treatment of Metals (in Chinese) , 11 pp. 6-11.

Zhao, X; Evans, JRG; Edirisinghe, MJ; Song, JH; (2003) Formulation of a ceramic ink for a wide-array drop-on-demand ink-jet printer. CERAM INT , 29 (8) 887 - 892. 10.1016/S0272-8842(03)00032-4.

Zhao, YH; Abraham, MH; Le, J; Hersey, A; Luscombe, CN; Beck, G; Sherborne, B; Zhao, YH; Abraham, MH; Le, J; Hersey, A; Luscombe, CN; Beck, G; Sherborne, B; Cooper, I; - view fewer (2003) Evaluation of rat intestinal absorption data and correlation with human intestinal absorption. Eur J Med Chem , 38 (3) pp. 233-243.

Zhao, YH; Abraham, MH; Zissimos, AM; (2003) Fast calculation of van der Waals volume as a sum of atomic and bond contributions and its application to drug compounds. J Org Chem , 68 (19) pp. 7368-7373. 10.1021/jo034808o.

Zissimos, AM; Abraham, MH; Barker, MC; Box, KJ; Tam, KY; Reynolds, D; Valko, K; Zissimos, AM; Abraham, MH; Barker, MC; Box, KJ; Tam, KY; Reynolds, D; Valko, K; Du, CM; Bevan, C; - view fewer (2003) Obtaining the Abraham descriptors, experimental methods and calculation. In: Ford, M and Livingstone, D and Dearden, J and van de Waterbeemd, H, (eds.) EuroQSAR Designing drugs and crop protectants: processes, problems and solutions. (p. 331). Blackwell: Oxford.