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Number of items: 345.

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 5 - 7.

Abraham, MH; (2003) The determination of air/water partition coefficients for alkylcarboxylic acids by a new indirect method. Journal of Environmental Monitoring , 5 747 - 752.

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. (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. Toxicological Sciences , 76 384 - 391.

Abraham, MH; Zissimos, AM; Acree, WE; (2003) Partition of solutes into wet and dry ethers; an LFER analysis. New Journal of Chemistry , 27 1041 - 1044.

Abraham, MH; Zissimos, AM; Huddleston, JG; Wilauer, HD; Rodgers, RD; Acree, WE; (2003) Some novel liquid partitioning systems: water-ionic liquids and aqueous biphasic systems. Industrial and Engineering Chemistry Research , 42 413 - 418.

Akutsu, H; Akutsu-Sato, A; Turner, SS; Day, P; Tocher, DA; Probert, MR; ... Laukhin, VN; + view all (2003) Structures and properties of new superconductors, beta ''-(ET)(4)[(H3O)Ga(C2O4)(3)]Sol [Sol = nitrobenzene and pyridine]. SYNTHETIC METALS , 137 (1-3) 1239 - 1240. 10.1016/S0379-6799(02)01011-1.

Akutsu-Sato, A; Akutsu, H; Turner, SS; Le Pevelen, D; Day, P; Light, ME; ... Nakamura, T; + view all (2003) Structures and Properties of BEDT-TTF Salts containing Channels of Protons. Synthetic Metals , 135-136 597 - 598.

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

Anderson, JC; Blake, AJ; Arnall-Culliford, JC; (2003) Synthesis of planar chiral ferrocenyl 1,3-diamines and 1,3-amino ethers. ORG BIOMOL CHEM , 1 (20) 3586 - 3591. 10.1039/b307014j.

Anderson, JC; Blake, AJ; Graham, JP; Wilson, C; (2003) Investigation of the asymmetric ionic Diels-Alder reaction for the synthesis of cis-decalins. ORG BIOMOL CHEM , 1 (16) 2877 - 2885. 10.1039/b305116a.

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, JC; Whiting, M; (2003) Total synthesis of (+/-)-kainic acid with an aza-[2,31-Wittig sigmatropic rearrangement as the key stereochemical determining. J ORG CHEM , 68 (16) 6160 - 6163. 10.1021/jo030101q.

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 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 , 344 123 - 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 2 - 5.

Atkinson, CE; Aliev, AE; Motherwell, WB; (2003) Binding site optimisation for artificial enzymes by diffusion NMR of small molecules. CHEM-EUR J , 9 (8) 1714 - 1723.

B

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.

Ballou, R; Canals, B; Elhajal, M; Lacroix, C; Wills, AS; (2003) Magnetic ground state of Kagome systems: the example of the jarosites compounds. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS , 236 (2) 240 - 245. 10.1002/pssb.200301662.

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) 465 - 471. 10.1016/S0304-8853(03)00079-9.

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

Beale, AM; Sankar, G; (2003) Following the crystallisation of Bi2Mo2O9 catalyst by combined XRD/QuEXAFS. In: PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES. (pp. 525 - 532). INDIAN ACADEMY SCIENCES Gold open access

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

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) Germanium phosphide coatings from the atmospheric pressure chemical vapour deposition of GeX4 (X = Cl or Br) and PCyc(hex)H(2). POLYHEDRON , 22 (13) 1683 - 1688. 10.1016/S0277-5387(03)00328-0.

Binions, R; Carmalt, CJ; Parkin, IP; (2003) Tin Phosphide Coatings from the Atmospheric Pressure Chemical Vapour Depoaition of SnCl4 and PCychexxH3-x. In: Allendorf, MD and Maury, F and Teyssandier, F, (eds.) Chemical Vapour Deposition XVI and EuroCVD 14. (pp. 1426 - 1433). The Electrochemical Society, Inc.: Pennington, New Jersey.

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) 10 - 13. 10.1002/cvde.200290000.

Blackman, CS; Carmalt, CJ; O'Neill, SA; Parkin, IP; Apostolico, L; Moloy, KC; (2003) Dual-source chemical vapour deposition of titanium(III) phosphide from titanium tetrachloride and tristrimethylsilylphosphine. Applied Surface Science , 211 (1-4) 2 - 5. 10.1016/S0169-4332(03)00263-0. Green open access
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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. Green open access
file

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). In: Allendorf, MD and Maury, F and Teyssandier, F, (eds.) Chemical Vapour Deposition XVI and EuroCVD 14. (pp. 1387 - 1394). The Electrochemical Society, Inc.: Pennington, New Jersey.

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. Green open access
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Blandamer, MJ; Abraham, MH; -,; (2003) A critique of thermodynamic description of hydrophobic aggregation in aqueous solution. Thermochimica Acta , 403 219 - 222.

Boehm, M; Roessli, B; Schefer, J; Wills, AS; Ouladdiaf, B; Lelievre-Berna, E; ... Petrakovskii, GA; + view all (2003) Complex magnetic ground state of CuB2O4. PHYS REV B , 68 (2) , Article 024405. 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) 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) 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. In: (Proceedings) 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. In: (Proceedings) 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; ... Roy, SB; + view all (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) 4714 - 4716.

Bromley, ST; Catlow, CRA; (2003) Magnetism and energetics of the 4d bimetallic cluster Pd6Ru6. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY , 91 (2) 270 - 276. 10.1002/qua.10452.

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

Bromley, ST; French, SA; Sokol, AA; Catlow, CRA; Sherwood, P; (2003) Metal cluster support interactions in the Cu/ZnO system: A QM/MM study. J PHYS CHEM B , 107 (29) 7045 - 7057. 10.1021/jp0223307.

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. Green and gold open access
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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. (302 - 361). Springer Verlag

Burg, P; Abraham, MH; Cagniant, D; (2003) Methods of determining polar and non-polar sites on carbonaceous adsorbents. The contribution of the linear solvation energy relationship approach. Carbon , 41 867 - 879.

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. (61 - 72). Kluwer: Dordrecht.

Burgio, L; Clark, RJH; Theodoraki, K; (2003) Raman microscopy of Greek icons: identification of unusual pigments. Spectrochimica Acta , 59 2371 - 2389.

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

Carmalt, CJ; Mileham, JD; White, AJP; Williams, DJ; Rushworth, S; (2003) Synthetic and structural studies on aluminium thiolate complexes. POLYHEDRON , 22 (18) 2655 - 2660. 10.1016/S0277-5387(03)00351-6.

Carmalt, CJ; Newport, A; Parkin, IP; Mountford, P; Sealey, AJ; Dubberley, SR; (2003) Synthesis of TiN thin films from titanium imido complexes. J MATER CHEM , 13 (1) 84 - 87. 10.1039/b208271n.

Carmalt, CJ; Parkin, IP; Peters, ES; (2003) Atmospheric pressure chemical vapour deposition of TiS2 thin films on glass. POLYHEDRON , 22 (9) 1263 - 1269. 10.1016/S0277-5387(03)00067-6.

Carmalt, CJ; Parkin, IP; Peters, ES; (2003) Atmospheric pressure chemical vapour deposition of WS2 thin films on glass. POLYHEDRON , 22 (11) 1499 - 1505. 10.1016/S0277-5387(03)00194-3.

Caruana, DJ; Yao, J; (2003) Gas phase electrochemical detection of single latex particles. ANALYST , 128 (10) 1286 - 1290. 10.1039/b305609k.

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.

Catlow, CRA; (2003) Modelling and simulation. CURR OPIN SOLID ST M , 7 (1) 1 - 2. 10.1016/S1359-0286(03)00030-5.

Catlow, CRA; French, SA; Sokol, AA; Alfredsson, M; Bromley, ST; (2003) Understanding the interface between oxides and metals. FARADAY DISCUSS , 124 185 - 203. 10.1039/b211661h.

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; ... Wildes, A; + view all (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; ... Wildes, A; + view all (2003) Er2Ti2O7: Evidence of quantum order by disorder in a frustrated antiferromagnet. PHYS REV B , 68 (2) , Article 020401. 10.1103/PhysRevB.68.020401.

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

Chin, J; Harting, J; Jha, S; Coveney, PV; Porter, AR; Pickles, SM; (2003) Steering in computational science: mesoscale modelling and simulation. CONTEMP PHYS , 44 (5) 417 - 434. 10.1080/00107510310001605046.

Chowdhury, S; Iveson, PB; Drew, MGB; Tocher, DA; Datta, D; (2003) A novel copper(I) complex that is a monomeric single helix in solid state but a dimeric double helix in solution. NEW J CHEM , 27 (2) 193 - 196. 10.1039/b207057j.

Claridge, JB; Fowkes, AJ; Rosseinsky, MJ; Watts, ID; (2003) Cation site and anion charge ordering in body-centered cubic-packed fullerides with complex counterions. CHEM MATER , 15 (7) 1497 - 1504. 10.1021/cm020161x.

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

Clark, RJH; (2003) Pigments in Artwork, Cosmetics and Archaeology: The Role of Raman MIcroscopy in Their Identification. In: Tsoucaris, G and Lipowski, J, (eds.) Molecular and Structural Archaeology: Cosmetic and Therapeutic Chemicals. (53 - 59). Kluwer: Dordrecht.

Clarke, SJ; Denis, SG; Rutt, OJ; Hill, TL; Hayward, MA; Hyett, G; Gal, ZA; (2003) Sodium intercalation into the n=2 Ruddlesden-Popper type host Y2Ti2O5S2: Synthesis, structure, and properties of alpha-NaxY2Ti2O5S2 (0 < x <= 1). CHEM MATER , 15 (26) 5065 - 5072. 10.1021/cm034762f.

Clitherow, JW; King, FD; Middlemiss, DN; Wyman, PA; (2003) The discovery and development of 5-HT-terminal autoreceptor antagonists. Prog Med Chem , 41 129 - 165.

Cometto-Muniz, JE; Cain, WS; Abraham, MH; (2003) Dose-addition of individual odorants in the odor detection of binary mixtures. Behavioural Brain Research , 138 95 - 105.

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

Coombes, DS; Catlow, CRA; Garces, JM; (2003) Computational studies of layered silicates. MODEL SIMUL MATER SC , 11 (3) 301 - 306.

Cooper, TG; de Leeuw, NH; (2003) A combined ab initio and atomistic simulation study of the surface and interfacial structures and energies of hydrated scheelite: introducing a CaWO4 potential model. SURF SCI , 531 (2) 159 - 176. 10.1016/S00039-6028(03)00362-5.

Cora, F; Alfredsson, M; Barker, CM; Bell, RG; Foster, MD; Saadoune, I; ... Catlow, CRA; + view all (2003) Modeling the framework stability and catalytic activity of pure and transition metal-doped zeotypes. J SOLID STATE CHEM , 176 (2) 496 - 529. 10.1016/S0022-4596(03)00275-5.

Cora, F; Catlow, CRA; (2003) Influence of the counterion on the local environment and electronic structure of active sites in zeotypes. J PHYS CHEM B , 107 (43) 11861 - 11865. 10.1021/jp035552t.

Cora, F; Catlow, CRA; Civalleri, B; Orlando, R; (2003) Acid strength of low-valence dopant ions in microporous zeolites and AlPOs. J PHYS CHEM B , 107 (43) 11866 - 11870. 10.1021/jp0355521.

Corma, A; Puche, M; Rey, F; Sankar, G; Teat, SJ; (2003) A zeolite structure (ITQ-13) with three sets of medium-pore crossing channels formed by 9- and 10-rings. ANGEW CHEM INT EDIT , 42 (10) 1156 - 1159.

Coveney, PV; (2003) Self-organization and complexity: a new age for theory, computation and experiment. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES , 361 (1807) 1057 - 1079. 10.1098/rsta.2003.1191.

Coveney, PV; (2003) Modeling structure and properties in mesoscale fluid systems. In: Case, F and Alexandridis, P, (eds.) UNSPECIFIED (206 - 226). AMER CHEMICAL SOC

Creighan, SC; Mukerji, RJ; Bolina, AS; Lewis, DW; Brown, WA; (2003) The adsorption of CO on the stepped Pt{211} surface: a comparison of theory and experiment. CATAL LETT , 88 (1-2) 39 - 45.

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.

Cross, WB; Parkin, IP; O'Neill, SA; Williams, PA; Mahon, MF; Molloy, KC; (2003) Tungsten oxide coatings from the aerosol-assisted chemical vapor deposition of W(OAr)(6) (Ar=C6H5, C6H4F-4, C6H3F2-3,4); photocatalytically active gamma-WO3 films. CHEM MATER , 15 (14) 2786 - 2796. 10.1021/cm020390j.

D

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) 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

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

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 1330 - 1341.

Dang, HS; Roberts, BP; Tocher, DA; (2003) Thiol-catalysed radical-chain redox rearrangement reactions of benzylidene acetals derived from terpenoid diols. ORG BIOMOL CHEM , 1 (22) 4073 - 4084. 10.1039/b309060b.

Daniels, CR; Charlton, AK; Wold, RM; Acree, WE; Abraham, MH; (2003) Thermochemical behaviour of dissolved carboxylic acid solutes: solubilities of 3-methybenzoic acid and 4-chlorobenzoic acid in organic solvents. Canadian Journal of Chemistry , 81 1492 - 1451.

Dawe, JH; Porter, CT; Thornton, JM; Tabor, AB; (2003) A template search reveals mechanistic similarities and differences in beta-ketoacyl synthases (KAS) and related enzymes. PROTEINS , 52 (3) 427 - 435. 10.1002/prot.10421.

Day, GM; Price, SL; (2003) A nonempirical anisotropic atom-atom model potential for chlorobenzene crystals. J AM CHEM SOC , 125 (52) 16434 - 16443. 10.1021/ja0393625.

Day, GM; Price, SL; Leslie, M; (2003) Atomistic calculations of phonon frequencies and thermodynamic quantities for crystals of rigid organic molecules. J PHYS CHEM B , 107 (39) 10919 - 10933. 10.1021/jp035125f.

Day, P; (2003) BEDT–TTF charge-transfer salts: new structures, new functionalities. Comptes Rendus Chimie , 6 (3) 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.

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Valko, K; Nunhock, S; Bevan, C; Abraham, MH; Reynolds, DP; (2003) Fast gradient HPLC method to determine compounds binding to human serum albumin. Relationship wth octanol water and immobilized artificial membrane lipophilicity. Journal of Pharmaceutical Sciences , 92 2236 - 2248.

Varnardou, D; Pemble, ME; Sheel, DW; Manning, TD; Parkin, IP; (2003) Characterization of vanadium oxide films prepared by atmospheric pressure chemical vapour deposition. In: Allendorf, MD and Maury, F and Teyssandier, F, (eds.) Chemical Vapour Deposition XVI and EuroCVD 14. (pp. 1448 - 1454). The Electrochemical Society, Inc.: Pennington, New Jersey.

Verlet, JRR; Stavros, VG; Minns, RS; Fielding, HH; (2003) Controlling the radial dynamics of Rydberg wavepackets in Xe using phase-locked optical pulse sequences. J PHYS B-AT MOL OPT , 36 (17) 3683 - 3696.

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) 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 1227 - 1228.

Wills, AS; Detlefs, C; Canfield, PC; (2003) Symmetry analysis of the interplay between local moment anisotropies and propagation vectors in the borocarbides. PHILOS MAG , 83 (10) 1227 - 1234. 10.1080/1478643031000077702.

Wilson, JR; Caruana, DJ; Gilardi, G; (2003) Engineering redox functions in a nucleic acid binding protein. CHEM COMMUN (3) 356 - 357. 10.1039/b209443f.

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

Wilson, M; McMillan, PF; (2003) Crystal-liquid phase relations in silicon at negative pressure. PHYS REV LETT , 90 (13) , Article 135703. 10.1103/PhysRevLett.90.135703. Green open access
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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. Green and gold open access
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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) Computer-simulation study of the orthorhombic-hexagonal phase change in lanthanide manganates (LnMnO(3)). CHEM MATER , 15 (8) 1669 - 1675. 10.1021/cm021324k.

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) 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

Writer, MJ; Hsu, C; Devitt, J; Tabor, AB; Kinnon, C; Von Seggern, D; Hart, SL; (2003) Increased efficiency of gene transfer into dendritic cells using phage display-derived peptides. In: MOLECULAR THERAPY. (pp. S469 - S469). ACADEMIC PRESS INC ELSEVIER SCIENCE

Y

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

Z

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 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; Hersey, A; Luscombe, CN; (2003) Quantitative relationship between rat intestinal absorption and Abraham descriptors. European Journal of Medicinal Chemistry , 38 939 - 947.

Zhao, YH; Abraham, MH; Le, J; Hersey, A; Luscombe, CN; Beck, G; ... Cooper, I; + view all (2003) Evaluation of rat intestinal absorption and correlation with human intestinal absorption. European Journal of Medicinal Chemistry , 38 233 - 243.

Zhao, YH; Abraham, MH; Zissimos, AM; (2003) Determination of McGowan volumes for ions and correlation with van der Waals volumes. Journal of Chemical Information and Computer Sciences , 43 (6) 1848 - 1854. 10.1021/ci0341114.

Zhao, YH; Abraham, MH; Zissimos, AM; (2003) Fast calculation of van der Waals volume as the sum of atomic and bond contributions and its application to drug molecules. Journal of Organic Chemistry , 68 7368 - 7373.

Zhu, T; Li, J; Yip, S; Bartlett, RJ; Trickey, SB; De Leeuw, NH; (2003) Deformation and fracture of a SiO2 nanorod. In: MOLECULAR SIMULATION. (pp. 671 - 676). TAYLOR & FRANCIS LTD

Zissimos, AM; Abraham, MH; Barker, MC; Box, KJ; Tam, KY; Reynolds, D; ... Bevan, C; + view all (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. (331 - 331). Blackwell: Oxford.

This list was generated on Sun Apr 20 11:33:13 2014 BST.