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Abraham, MH; Al-Hussaini, AJ; (2002) Solvation descriptors for N-nitrosodialkylamines; calculation of some of their properties of environmental significance. J Environ Monit , 4 (5) pp. 743-746.

Abraham, MH; Amin, M; Zissimos, AM; (2002) The lipophilicity of Sudan I and its tautomeric forms. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 4 (23) pp. 5748-5752. 10.1039/b208259d.

Abraham, MH; Blandamer, MJ; (2002) Self-assembly does not account for the hydrophobic effect. J Am Chem Soc , 124 (26) pp. 7853-7856.

Abraham, MH; Enomoto, K; Clarke, ED; Sexton, G; (2002) Hydrogen bond basicity of the chlorogroup; hexachlorocyclohexanes as strong hydrogen bond bases. J Org Chem , 67 (14) pp. 4782-4786.

Abraham, MH; Gola, JM; Cometto-Muniz, JE; Cain, WS; (2002) A model for odour thresholds. Chem Senses , 27 (2) pp. 95-104.

Abraham, MH; Ibrahim, A; Zissimos, AM; Zhao, YH; Comer, J; Reynolds, DP; (2002) Application of hydrogen bonding calculations in property based drug design. Drug Discov Today , 7 (20) pp. 1056-1063.

Abraham, MH; Zhao, YH; Le, J; Hersey, A; Luscombe, CN; Reynolds, DP; Beck, G; (2002) On the mechanism of human intestinal absorption. Eur J Med Chem , 37 (7) pp. 595-605.

Acree, WE; Abraham, MH; (2002) Solubility of crystalline nonelectrolyte solutes in organic solvents: Mathematical correlation of benzil solubilities with the Abraham general solvation model. JOURNAL OF SOLUTION CHEMISTRY , 31 (4) pp. 293-303.

Acree, WE; Abraham, MH; (2002) Solubility predictions for crystalline polycyclic aromatic hydrocarbons (PAHs) dissolved in organic solvents based upon the Abraham general solvation model. FLUID PHASE EQUILIBRIA , 201 (2) pp. 245-258. 10.1016/S0378-3812(02)00077-8.

Aguas, MD; Morris, L; Parkin, IP; (2002) Self-propagating solid state routes to BaSnO3; investigation of gas sensing properties. J MATER SCI , 37 (2) 375 - 379.

Akutsu, H; Akutsu-Sato, A; Turner, SS; Le Pevelen, D; Day, P; Laukhin, V; Klehe, AK; (2002) Effect of included guest molecules on the normal state conductivity and superconductivity of beta ''-(ET)(4)[(H3O)Ga(C2O4)(3)]center dot G (G = pyridine, nitrobenzene). J AM CHEM SOC , 124 (42) 12430 - 12431. 10.1021/ja0273849.

Al Damluji, S; Ganellin, CR; (2002) Structural Properties of Group B Ligands for Transport-P. British Journal of Pharmacology , 136 Suppl-20P.

Alfredsson, M; Catlow, CRA; (2002) A comparison between metal supported c-ZrO2 and CeO2. PHYS CHEM CHEM PHYS , 4 (24) 6100 - 6108. 10.1039/b204680f.

Alfredsson, M; Catlow, CRA; Paulidou, A; Nix, RM; (2002) Evidence of surface reconstructions and incorporation of oxygen into the oxide framework on the hydroxylated La2O3{001} surface. CHEM COMMUN (18) 2128 - 2129. 10.1039/b205528g.

Aliev, AE; Anderson, JE; Butler, D; Gonzalez-Outeirino, J; Lunazzi, L; Mazzanti, A; Steed, JW; (2002) The tricarbonylchromium complex of a trimethyltin-substituted N-(triisopropylsilyl)indole - A dynamic NMR study of multiple independent rotation processes in the solid state with an X-ray diffraction structure and molecular mechanics calculations. EUR J INORG CHEM (1) 133 - 140.

Aliev, AE; Atkinson, CE; Harris, KDM; (2002) Hydrogen bond dynamics in solid triphenylsilanol. J PHYS CHEM B , 106 (35) 9013 - 9018. 10.1021/jp0210172.

Anderson, JC; Anguille, S; Bailey, R; (2002) The direct use of phenyldimethylsilanes in silicon assisted palladium catalysed cross coupling. CHEM COMMUN (18) 2018 - 2019. 10.1039/b205765d.

Anderson, JC; Cran, JW; King, NP; (2002) Steric and electronic limitations for the Dotz benzannulation of aromatic alkynes. TETRAHEDRON LETT , 43 (21) 3849 - 3852.

Anderson, JC; Skerratt, S; (2002) Synthesis of alpha,alpha-disubstituted unnatural amino acid derivatives using the aza-[2,3]-Wittig sigmatropic rearrangement. J CHEM SOC PERK T 1 (24) 2871 - 2879. 10.1039/b207295e.

Anderson, JC; White, C; Stenson, KP; (2002) Synthesis of ferrocene bridged bis(2-indenyl) Ligands. SYNLETT (9) 1511 - 1513.

Anderson, JE; de Meijere, A; Kozhushkov, SI; Lunazzi, L; Mazzanti, A; (2002) Conformational Dynamics of Tetraisopropylmethane and of Tetracyclopropylmethane. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , 124 (23) pp. 6706-6713.

Anghel, AT; Day, GM; Price, SL; (2002) A study of the known and hypothetical crystal structures of pyridine: why are there four molecules in the asymmetric unit cell? CRYSTENGCOMM 348 - 355. 10.1039/b202084j.

Apelt, J; Ligneau, X; Pertz, HH; Arrang, JM; Ganellin, CR; Schwartz, JC; Schunack, W; (2002) Development of a New Class of Nonimidazole Histamine H3 Receptor Ligands with Combined Inhibitory Histamine N-Methyltransferase Activity. Journal of Medicinal Chemistry , 45 (5) pp. 1128-1141.

Aqil, R; Motherwell, WB; Roberts, LR; Russell, CA; (2002) Observations on the regio- and stereoselective trapping of organozinc carbenoids by acetoxybutadienes: a useful route to functionalised vinylcyclopropanes. TETRAHEDRON LETT , 43 (52) 9671 - 9674.

Ardon, M; Hayes, PD; Hogarth, G; (2002) Microwave-assisted reflux in organometallic chemistry: Synthesis and structural determination of molybdenum carbonyl complexes - An intermediate-level organometallic-inorganic experiment. J CHEM EDUC , 79 (10) 1249 - 1251.

Bach-Verges, M; Kitchin, SJ; Hix, GB; Harris, KDM; Aliev, AE; (2002) Dynamic properties of the guest molecules in the pyrazine/alpha-zirconium phosphate intercalation compound: A multinuclear solid-state NMR study. CHEM MATER , 14 (6) 2656 - 2663. 10.1021/cm0117329.

Ballou, R; Canals, B; Elhajal, M; Lacroix, C; Wills, AS; (2002) Magnetic ground state of kagome systems: the example of the jarosite family. Physica Status Solidi (B) , 236 240-.

Barker, CM; Gleeson, D; Kaltsoyannis, N; Catlow, CRA; Sankar, G; Thomas, JM; (2002) On the structure and coordination of the oxygen-donating species in Ti up arrow MCM-41/TBHP oxidation catalysts: a density functional theory and EXAFS study. PHYS CHEM CHEM PHYS , 4 (7) 1228 - 1240. 10.1039/b104735n.

Barker, CM; Gleeson, D; Kaltsoyannis, N; Catlow, CRA; Sankar, G; Thomas, JM; (2002) On the structure and coordination of the oxygen-donating species in Ti-MCM-41/TBHP oxidation catalysts: a density functional theory and EXAFS study. Physical Chemistry Chemical Physics , 4 (7) pp. 1228-1240.

Barone, G; Chaplin, T; Hibbert, TG; Kana, AT; Mahon, MF; Molloy, KC; Worsley, ID; (2002) Synthesis and thermal decomposition studies of homo- and heteroleptic tin(IV) thiolates and dithiocarbamates: molecular precursors for tin sulfides. J CHEM SOC DALTON (6) 1085 - 1092. 10.1039/b108509n.

Beale, AM; Sankar, G; (2002) Following the structural changes in iron phosphate catalysts by in situ combined XRD/QuEXAFS technique. J MATER CHEM , 12 (10) 3064 - 3072. 10.1039/b204059j.

Bennett, RA; Pang, CL; Perkins, N; Smith, RD; Morrall, P; Kvon, RI; Bowker, M; (2002) Surface structures in the SMSI state; Pd on (1 x 2) reconstructed TiO2(110). J PHYS CHEM B , 106 (18) 4688 - 4696. 10.1021/jp0138328.

Bieringer, M; Greedan, JE; Wills, AS; (2002) Investigation of magnetic structure evolution in the substitutional solid solution ScxLu(1-x)MnO3. APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING , 74 S601-S603. 10.1007/s003390201532.

Binions, R; Blackman, CS; Carmalt, CJ; O'Neill, SA; Parkin, IP; Molloy, K; Apostilco, L; (2002) Tin phosphide coatings from the atmospheric pressure chemical vapour deposition of SnX4 (X = Cl or Br) and PRxH3-x (R = Cyc(hex) or phenyl). POLYHEDRON , 21 (19) 1943 - 1947.

Blackman, C; Carmalt, CJ; Parkin, IP; O'Neill, S; Apostolico, L; Molloy, KC; Rushworth, S; (2002) Titanium phosphide coatings from the atmospheric pressure chemical vapor deposition of TiCl4 and RPH2 (R = t-Bu, Ph, Cy-Hex). CHEM MATER , 14 (7) 3167 - 3173. 10.1021/cm0200792.

Blackman, CS; Carmalt, CJ; Parkin, IP; Apostolico, L; Molloy, KC; White, AJP; Williams, DJ; (2002) Single-source CVD routes to titanium phosphide. J CHEM SOC DALTON (13) 2702 - 2709. 10.1039/b203613b.

Bououdina, M; Guo, ZX; (2002) Characterisation of Structural Stability of [Ti(H<sub>2</sub>)+Al+Nb] Powder Mixtures during Mechanical Alloying. Materials Science and Engineering: A , 332 pp. 210-222. 10.1016/S0921-5093(01)01731-2.

Bououdina, M; Guo, ZX; (2002) Comparative study of mechanical alloying of (Mg+Al) and (Mg+Al+Ni) mixtures for hydrogen storage. Journal of Alloys and Compounds , 336 (1-2) pp. 222-231. 10.1016/S0925-8388(01)01856-4.

Bououdina, M; Guo, ZX; (2002) Effects of TiH2 on the Mechanical Alloying of Ti Aluminides. Journal of Metastable and Nanocrystalline Materials , 12 pp. 9-17.

Braga, D; Desiraju, GR; Miller, JS; Orpen, AG; Price, SL; (2002) Innovation in crystal engineering. CRYSTENGCOMM 500 - 509. 10.1039/b207466b.

Braithwaite, JS; Sushko, PV; Wright, K; Catlow, CRA; (2002) Hydrogen defects in Forsterite: A test case for the embedded cluster method. J CHEM PHYS , 116 (6) 2628 - 2635.

Branford, W; Green, MA; Neumann, DA; (2002) Structure and Ferromagnetism in Mn4+ Spinels: AM0.5Mn1.5O4 (A = Li, Cu; M = Ni, Mg). Chemistry of Materials , 14 (4) pp. 1649-1656.

Bromidge, SM; Clarke, SE; King, FD; Lovell, PJ; Newman, H; Riley, G; Routledge, C; (2002) Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Bioorg Med Chem Lett , 12 (10) pp. 1357-1360.

Brown, KL; Clark, RJ; (2002) Analysis of pigmentary materials on the vinland map and tartar relation by Raman microprobe spectroscopy. Anal Chem , 74 (15) pp. 3658-3661.

Bursten, B.E.; Chisholm, M.H.; Clark, R.J.H.; Firth, S.; Hadad, C.M.; MacIntosh, A.M.; Wilson, P.J.; (2002) Oxalate-bridged complexes of dimolybdenum and ditungsten supported by pivalate ligands: (tBuCO2)3M2(-O2CCO2)M2(O2CtBu)3. Correlation of the solid-state, molecular, and electronic structures with raman, resonance raman, and electronic spectral data. Journal of the American Chemical Society , 124 (12) pp. 3050-3063. 10.1021/ja011786j.

Bursten, B.E.; Chisholm, M.H.; Clark, R.J.H.; Firth, S.; Hadad, C.M.; Wilson, P.J.; Woodward, P.M.; (2002) Perfluoroterephthalate bridged complexes with M-M quadruple bonds: (tBuCO2)3M2(-O2CC6F4CO2)M2(O2CtBu)3, where M = Mo or W. studies of solid-state, molecular, and electronic structure and correlations with electronic and raman spectral data. Journal of the American Chemical Society , 124 (41) pp. 12244-12254. 10.1021/ja020248j.

Bursten, BE; Chisholm, MH; Clark, RJH; Firth, S; Hadad, CM; Macintosh, AM; Wilson, PJ; (2002) Oxalate-Bridged Complexes of Dimolybdenum and Ditungsten Supported by Pivalate Ligands: (<sup>t</sup>BuCO<sub>2</sub>)<sub>3</sub>M<sub>2</sub>(?-O<sub>2</sub>CCO<sub>2</sub>)M<sub>2</sub>(O<sub>2</sub>C<sup>t</sup>Bu)<sub>3</sub>. Correlation of the Solid-State, Molecular, and Electronic Structures with Raman, Resonance Raman, and Electronic Spectral Data. Journal of the American Chemical Society , 124 (12) pp. 3050-3063. 10.1021/ja011786j.

Bursten, BE; Chisholm, MH; Clark, RJH; Firth, S; Hadad, CM; Wilson, PJ; Woodward, PM; (2002) Perfluoroterephthalate Bridged Complexes with M-M Quadruple Bonds: (<sup>t</sup>BuCO<sub>2</sub>)<sub>3</sub>M<sub>2</sub>(?-O<sub>2</sub>CC<sub>6</sub>F<sub>4</sub>CO<sub>2</sub>)M<sub>2</sub>(O<sub>2</sub>C<sup>t</sup>Bu)3, where M = Mo or W. Studies of Solid-State, Molecular, and Electronic Structure and Correlations with Electronic and Raman Spectral Data. Journal of the American Chemical Society , 124 (41) pp. 12244-12254. 10.1021/ja020248j.

Caddick, S; Geoffrey, F; Cloke, N; Hitchcock, PB; Leonard, J; Lewis, AKD; McKerrecher, D; (2002) The first example of simple oxidative addition of an aryl chloride to a discrete palladium N-heterocyclic carbene amination precatalyst. ORGANOMETALLICS , 21 (21) 4318 - 4319. 10.1021/om020552l.

Caddick, S; Hamza, D; Wadman, SN; Wilden, JD; (2002) Solid-phase intermolecular radical reactions 2: Synthesis of C-glycopeptide mimetics via a novel acrylate acceptor. ORG LETT , 4 (10) 1775 - 1777. 10.1021/ol025846h.

Caddick, S; Kofie, W; (2002) Observations on the intramolecular Heck reactions of aromatic chlorides using palladium/imidazolium salts. TETRAHEDRON LETT , 43 (51) 9347 - 9350.

Caddick, S; Wilden, JD; Bush, HD; Wadman, SN; Judd, DB; (2002) A new route to sulfonamides via intermolecular radical addition to pentafluorophenyl vinylsulfonate and subsequent aminolysis. ORG LETT , 4 (15) 2549 - 2551. 10.1021/ol026181m.

Cai, Y; Dang, HS; Roberts, BP; (2002) Regioselectivity in the ring-opening beta-scission of 2-phenyl-1,3-dioxan-2-yl radicals derived from bicyclic benzylidene acetals. Journal of the Chemical Society, Perkin Transactions 1 (22) pp. 2449-2458.

Cai, Y; Roberts, BP; (2002) The mechanism of polarity-reversal catalysis as involved in the radical-chain reduction of alkyl halides using the silane-thiol couple. Journal of the Chemical Society, Perkin Transactions 2 (11) pp. 1858-1868.

Cai, YD; Roberts, BP; Tocher, DA; (2002) Carbohydrate-derived thiols as protic polarity-reversal catalysts for enantioselective radical-chain reactions. J CHEM SOC PERK T 1 (11) 1376 - 1386. 10.1039/b202022j.

Carling, SG; Visser, D; Hautot, D; Watts, ID; Day, P; Ensling, J; Guetlich, P; (2002) A Polarized Neutron Diffraction and M”ssbauer Spectral Study of Short Range Magnetic Correlations in the Ferrimagnetic Layered Compounds (PPh4)[FeIIFeIII(ox)3] and (NBu4)[FeIIFeIII(ox)3]. Physical Review B , 66 (10) art-104407.

Carling, SG; Visser, D; Hautot, D; Watts, ID; Day, P; Ensling, J; Gutlich, P; (2002) Polarized neutron diffraction and Mossbauer spectral study of short-range magnetic correlations in the ferrimagnetic layered compounds (PPh4) [(FeFeIII)-Fe-II(ox)(3)] and (NBu4) [(FeFeIII)-Fe-II(ox)(3)]. PHYS REV B , 66 (10) , Article 104407. 10.1103/PhysRevB.66.104407.

Carmalt, CJ; Dinnage, CW; Parkin, IP; White, AJP; Williams, DJ; (2002) Synthesis of a homoleptic niobium(V) thiolate complex and the preparation of niobium sulfide via thio "sol-gel" and vapor phase thin-film experiments. INORG CHEM , 41 (14) 3668 - 3672. 10.1021/ic020097l.

Carmalt, CJ; Mileham, JD; White, AJP; Williams, DJ; (2002) Pentanuclear alkoxyaluminium hydrides. NEW J CHEM , 26 (7) 902 - 905. 10.1039/b201773n.

Carmalt, CJ; Newport, AC; Parkin, IP; White, AJP; Williams, DJ; (2002) Titanium imido complexes as precursors to titanium nitride. J CHEM SOC DALTON (21) 4055 - 4059. 10.1039/b204027c.

Caruana, DJ; McCormack, SP; (2002) Electrochemical redox potential in flame plasma. ELECTROCHEM COMMUN , 4 (10) 780 - 786.

Catlow, CRA; (2002) New science from high-performance computing: an introduction. PHILOS T R SOC A , 360 (1795) 1075 - 1078. 10.1098/rsta.2002.0997.

Cavero, M; Motherwell, WB; Potier, P; Weibel, JM; (2002) Thioepoxide formation by ring closure of allylthiyl radicals - a novel rearrangement of allylic thionitrites. CHEM COMMUN (20) 2394 - 2395. 10.1039/b207252c.

Chakrabarti, S; Green, MA; Natarajan, S; (2002) Hydrothermal synthesis of the first iron arsenate-oxalate [C4N2H12]2[Fe4(HAsO4)6(C2O4)2] posessing open architecture. Solid State Science , 4 (3) pp. 405-412.

Chaplin, TD; Clark, RJH; Beech, DR; (2002) Comparison of genuine (1851-1852 AD) and forged or reproduction Hawaiian Missionary stamps using Raman microscopy. Journal of Raman Spectroscopy , 33 (6) pp. 424-428.

Charlo, D; Clary, DC; (2002) Quantum-mechanical calculations on termolecular association reactions XY+Z+M -> XYZ+M: Application to ozone formation. The Journal of Chemical Physics , 117 (4) pp. 1660-1672.

Chelli, R; Gervasio, FL; Procacci, P; Schettino, V; (2002) Stacking and T-shape competition in aromatic-aromatic amino acid interactions. J Am Chem Soc , 124 (21) pp. 6133-6143.

Christofi, AM; Garratt, PJ; Hogarth, G; Ibbett, AJ; Ng, YF; Steed, JW; (2002) Molecular design using electrostatic interactions. Part 4: Synthesis and properties of flexible tetrapodand tetracations derived from naphthalene. Role of structured water in the electrostatic binding of polyanion guests: a model for interactions in biological systems. TETRAHEDRON , 58 (22) 4543 - 4549.

Clark, RJH; (2002) Pigment identification by spectroscopic means: an arts/science interface. Comptes Rendus Chimie , 5 (1) pp. 7-20.

Clark, RJH; Firth, S; (2002) Raman, infrared and force field studies of K212C2O4.H2O and K213C2O4.H2O in the solid state and in aqueous solution, and of (NH4)212C2O4.H2O and (NH4)213C2O4.H2O in the solid state. Spectrochimica Acta Part A , 58 (8) pp. 1731-1746.

Clark, RJH; Foley, LJ; (2002) Photochemically Induced Reactions of Ozone with 1,2-Dibromoethene and 1,2-Dichloroethene: An FT-IR Matrix Isolation Study. The Journal of Physical Chemistry A , 106 (14) pp. 3356-3364.

Clarke, PA; Kayaleh, NE; Smith, MA; Baker, JR; Bird, SJ; Chan, C; (2002) A one-step procedure for the monoacylation of symmetrical 1,2-diols. J Org Chem , 67 (15) pp. 5226-5231.

Clary, DC; Buonomo, E; Sims, IR; Smith, IWM; Geppert, WD; Naulin, C; Costes, M; (2002) C+C2H2: A Key Reaction in Interstellar Chemistry. The Journal of Physical Chemistry A , 106 (23) pp. 5541-5552.

Clary, DC; Meijer, AJHM; (2002) Excitation of torsional modes of proteins via collisional energy transfer: A quantum dynamical approach. The Journal of Chemical Physics , 116 (22) pp. 9829-9838.

Cometto-Muñiz, JE; Cain, WS; Abraham, MH; Gola, JM; (2002) Psychometric functions for the olfactory and trigeminal detectability of butyl acetate and toluene. J Appl Toxicol , 22 (1) pp. 25-30.

Coombes, DS; Catlow, CRA; Gale, JD; Hardy, MJ; Saunders, MR; (2002) Theoretical and experimental investigations on the morphology and pharmaceutical crystals. J PHARM SCI-US , 91 (7) 1652 - 1658. 10.1002/jps.10148.

Cooper, TG; de Leeuw, NH; (2002) Co-adsorption of surfactants and water at inorganic solid surfaces. CHEM COMMUN (14) 1502 - 1503. 10.1039/b204110c.

Cora, F; Saadoune, I; Catlow, CRA; (2002) Lewis acidity in transition-metal-doped microporous aluminophosphates. ANGEW CHEM INT EDIT , 41 (24) 4677 - 4680.

Cora, F; Sankar, G; Catlow, CRA; Thomas, JM; (2002) Electronic state and three-dimensional structure of Mn(III) active sites in manganese-containing aluminophosphate molecular sieve catalysts for the oxyfunctionalisation of alkanes. CHEM COMMUN (7) 734 - 735. 10.1039/b110017c.

Corà, F.; Saadoune, I.; Catlow, C.R.A.; (2002) Lewis acidity in transition-metal-doped microporous aluminophosphates. Angewandte Chemie International Edition , 41 (24) pp. 4677-4680. 10.1002/anie.200290013.

Corà, F.; Sankar, G.; Catlow, C.R.A.; Thomas, J.M.; (2002) Electronic state and three-dimensional structure of Mn(iii) active sites in manganese-containing aluminophosphate molecular sieve catalysts for the oxyfunctionalisation of alkanes. Chemical Communications (7) pp. 734-735. 10.1039/b110017c.

Costa, LS; Clary, DC; (2002) Calculation of the energy levels of weakly bound molecular trimers: Application to (H2)3. The Journal of Chemical Physics , 117 (16) pp. 7512-7519.

Cygan, RT; Wright, K; Fisler, DK; Gale, JD; Slater, B; (2002) Atomistic models of carbonate minerals: Bulk and surface structures, defects, and diffusion. MOLECULAR SIMULATION , 28 (6-7) 475 - 495. 10.1080/08927020290030099.

Dang, HS; Roberts, BP; (2002) Deoxygenation of tertiary and secondary alcohols ROH by thiol-catalysed radical-chain redox decomposition of derivatives ROCH2X to give RH and XCHO. Journal of the Chemical Society, Perkin Transactions 1 (9) pp. 1161-1170.

Daniilia, S; Bikiaris, D; Burgio, L; Gavala, P; Clark, RJH; Chryssoulakis, Y; (2002) An extensive non-destructive and micro-spectroscopic study of two post-Byzantine overpainted icons of the 16th century. Journal of Raman Spectroscopy , 33 (10) pp. 807-814.

Danopoulos, AA; Winston, S; Motherwell, WB; (2002) Stable N-functionalised 'pincer' bis carbene ligands and their ruthenium complexes; synthesis and catalytic studies. CHEM COMMUN (13) 1376 - 1377. 10.1039/b202814j.

Day, GM; Price, SL; (2002) Can vibrational, mechanical, and morphological calculations aid in polymorph prediction? Abstracts of Papers of the American Chemical Society , 223 113-IEC.

Day, GM; Price, SL; (2002) Can vibrational, mechanical, and morphological. Calculations aid in polymorph prediction? ABSTR PAP AM CHEM S , 223 U645 - U645.

Day, P; (2002) Contradictory Reports on Magnetic Properties of the Layered Molecule-based Material N(n-C3H7)4[Fe(II)Fe(III)(C2O4)3]: a Commentary. Chemistry of Materials , 15 p. 2288.

Day, P; (2002) Molecular Magnets: The Prehistory. Notes and Records of the Royal Society of London , 56 (1) pp. 95-103.

Day, P; (2002) Porous Materials and Intercalation. Journal of Materials Chemistry , 12 ix-.

De Fina, KM; Sharp, TL; Chuca, I; Spurgin, MA; Acree, WE; Green, CE; Abraham, MH; (2002) Solubility of the pesticide monuron in organic nonelectrolyte solvents. Comparison of observed versus predicted values based upon mobile order theory. PHYSICS AND CHEMISTRY OF LIQUIDS , 40 (3) pp. 255-268. 10.1080/0031910021000004847.

De Leeuw, NH; (2002) Surface structures, stabilities, and growth of magnesian calcites: A computational investigation from the perspective of dolomite formation. AM MINERAL , 87 (5-6) 679 - 689.

De Leeuw, NH; Harding, JH; Parker, SC; (2002) Molecular dynamics simulations of the incorporation of Mg2+, Cd2+ and Sr2+ at calcite growth steps: Introduction of a SrCO3 potential model. MOLECULAR SIMULATION , 28 (6-7) 573 - 589. 10.1080/08927020290030143.

De Leeuw, NH; Heyes, DM; Harding, JH; (2002) Calcite and related materials: Growth and dissolution. MOL SIMULAT , 28 (6-7) 473 - 474. 10.1080/08927020290030080.

Debord, J; Bollinger, JC; Abraham, MH; Merle, L; Dantoine, T; (2002) Inhibition of arylesterase by organic solvents: Structure-activity relationships. INTERNET JOURNAL OF CHEMISTRY , 5 (4)

Decr au, RA; Marson, CM; Smith, KE; (2002) Preparation of 3-alpha- and 3-beta-Fluoro Compounds in the 5-alpha-Androst-16-ene and Androsta-5,16-diene Series. Synthetic Communications , 32 pp. 2125-2135.

Deeming, AJ; Forth, CS; Hogarth, G; Markham, D; Prince, JO; Steed, JW; (2002) Slow epimerization of stereochemically rigid diastereomers of the equatorially substituted cluster [Os3H2(mu(3)-S)(CO)(8){(S)-PhCHMeNH2}]. CHEM COMMUN (19) 2230 - 2231. 10.1039/b203611h.

Denning, MS; Watts, ID; Moussa, SM; Durand, P; Rosseinsky, MJ; Tanigaki, K; (2002) Close-packed C-70(3-) phases - Synthesis, structure, and electronic properties. J AM CHEM SOC , 124 (19) 5570 - 5580. 10.1021/ja017780b.

Ding, R; Guo, ZX; (2002) Microstructural modelling of dynamic recrystallisation using an extended cellular automaton approach. Computational Materials Science , 23 (1-4) pp. 209-218. 10.1016/S0927-0256(01)00211-7.

Ding, R; Guo, ZX; Wilson, A; (2002) Microstructural evolution of a Ti-6Al-4V alloy during thermomechanical processing. Materials Science and Engineering A , 327 (2) pp. 233-245. 10.1016/S0921-5093(01)01531-3.

Domingos, A; Elsegood, MRJ; Hillier, AC; Lin, GY; Liu, SY; Lopes, I; Marques, N; (2002) Facile pyrazolylborate ligand degradation at lanthanide centers: X-ray crystal structures of pyrazolylborinate-bridged bimetallics. INORG CHEM , 41 (25) 6761 - 6768. 10.1021/ic025801c.

Dupuis, V; Vincent, E; Hammann, J; Greedan, JE; Wills, AS; (2002) Aging and memory properties of topologically frustrated magnets. JOURNAL OF APPLIED PHYSICS , 91 (10) pp. 8384-8386. 10.1063/1.1450823.

Ebaretonbofa, E; Evans, JRG; (2002) High porosity foam scaffolds for bone substitute. Journal of Porous Materials , 9 pp. 257-263.

Ewing, M; Royal, DD; (2002) Relative permittivities and dielectric virial coefficients of nitrogen at T = 283.401 K and T = 303.409 K determined using a cylindrical microwave cavity resonator. The Journal of Chemical Thermodynamics , 34 (12) pp. 1985-1999. 10.1016/S0021-9614(02)00268-9.

Ewing, M; Royal, DD; (2002) A highly stable cylindrical microwave cavity resonator for the measurement of the relative permittivities of gases. The Journal of Chemical Thermodynamics , 34 (7) pp. 1073-1088. 10.1006/jcht.2002.0962.

Ewing, MB; Royal, DD; (2002) Relative permittivities and dielectric virial coefficients of nitrogen at T=300 K. The Journal of Chemical Thermodynamics , 34 (7) pp. 1089-1106.

Fak, B; van Dijk, NH; Wills, AS; (2002) Comment on "Magnetic field effects on neutron diffraction in the antiferromagnetic phase of UPt3". PHYS REV B , 66 (21) 10.1103/PhysRevB.66.216401.

Fielding, AJ; Franchi, P; Roberts, BP; Smits, TM; (2002) EPR and computational studies of the formation and beta-scission of cyclic and acyclic dialkoxyalkyl radicals. Journal of the Chemical Society, Perkin Transactions 2 (1) pp. 155-163.

Fitzmaurice, RJ; Kyne, GM; Douheret, D; Kilburn, JD; (2002) Synthetic receptors for carboxylic acids and carboxylates. J CHEM SOC PERK T 1 (7) 841 - 864. 10.1039/b009041g.

Fois, E; Gamba, A; Tilocca, A; (2002) Structure and dynamics of the flexible triple helix of water inside VPI-5 molecular sieves. J PHYS CHEM B , 106 (18) 4806 - 4812. 10.1021/jp014276k.

Forslund, LE; Faust, R; Kaltsoyannis, N; (2002) Time-dependent density functional theory studies of the electronic absorption spectra of N,N '-disubstituted 2,3-dialkynyl-1,4-diazabuta-1,3-dienes. J CHEM SOC PERK T 2 (3) 494 - 501. 10.1039/b109863m.

French, SA; Catlow, CRA; Oldman, RJ; Rogers, SC; Axon, SA; (2002) Solubility of cerium in LaCoO3-influence on catalytic activity. CHEM COMMUN (22) 2706 - 2707. 10.1039/b208392m.

French, SA; Sokol, AA; Bromley, ST; Catlow, CRA; Rogers, SC; King, F; Sherwood, P; (2002) An embedding approach to surface reactions on multicomponent metal/metal oxide catalysts. ABSTR PAP AM CHEM S , 223 C32 - C32.

Fuguet, E; Ràfols, C; Bosch, E; Abraham, MH; Rosés, M; (2002) Solute-solvent interactions in micellar electrokinetic chromatography. III. Characterization of the selectivity of micellar electrokinetic chromatography systems. J Chromatogr A , 942 (1-2) pp. 237-248.

Gervasio, FL; Carloni, P; Parrinello, M; (2002) Electronic structure of wet DNA. Phys Rev Lett , 89 (10) , Article 108102. 10.1103/PhysRevLett.89.108102. Green open access

Gervasio, FL; Chelli, R; Procacci, P; Schettino, V; (2002) Is the T-shaped toluene dimer a stable intermolecular complex? Journal of Physical Chemistry A , 106 (12) pp. 2945-2948. 10.1021/jp0137975.

Gervasio, FL; Chelli, R; Procacci, P; Schettino, V; (2002) The nature of intermolecular interactions between aromatic amino acid residues. Proteins , 48 (1) pp. 117-125. 10.1002/prot.10116.

Gibbs, T; Lewis, DW; (2002) Simultaneous occupation of SI and SI ' cation sites in dehydrated zeolite LSX. CHEM COMMUN (22) 2660 - 2661. 10.1039/b207505a.

Goumans, TPM; Ehlers, AW; Vlaar, MJM; Strand, SJ; Lammertsma, K; (2002) Structural properties of azaphosphirane and its W(CO)5 complex. A density functional study. Journal of Organometallic Chemistry , 643-64 pp. 369-375. 10.1016/S0022-328X(01)01268-2.

Grassmann, S; Sadek, B; Ligneau, X; Elz, S; Ganellin, CR; Arrang, JM; Schwartz, JC; (2002) Progress in the proxifan class: heterocyclic congeners as novel potent and selective histamine H3-receptor antagonists. European Journal of Pharmaceutical Sciences , 15 (4) pp. 367-378.

Grau-Crespo, R; Acuay, E; Ruiz-Salvador, RR; (2002) A free energy minimisation study of the monoclinic-orthorhombic transition in MFI zeolite. CHEM COMMUN (21) 2544 - 2545. 10.1039/b208064h.

Grau-Crespo, R; Lopez-Cordero, R; (2002) Comment on "Ab initio study of MoS2 and Li adsorbed on the (10(1)over-bar0) face of MoS2" by V. Alexiev, R. Prins and Th. Weber, Phys. Chem. Chem. Phys., 2000, 2, 1815, and "DFT study of MoS2 and hydrogen adsorbed on the (10(1)over-bar-0) face of MoS2" by V. Alexiev, R. Prins and Th. Weber, Phys. Chem. Chem. Phys., 2001, 3, 5326. PHYS CHEM CHEM PHYS , 4 (16) 4078 - 4079. 10.1039/b201528p.

Greedan, JE; Wiebe, CR; Wills, AS; Stewart, JR; (2002) Neutron-scattering studies of the geometrically frustrated spinel LiMn2O4. PHYS REV B , 65 (18) 10.1103/PhysRevB.65.184424.

Green, MA; Maddern, T; Brunger, MJ; Campbell, L; Cartwright, DC; Newell, WR; Teubner, PJO; (2002) Differential cross sections for electron impact excitation of the Herzberg pseudocontinuum of molecular oxygen. Journal of Physics B: Atomic, Molecular and Optical Physics , 35 pp. 3793-3800.

Grilli, S; Lunazzi, L; Mazzanti, A; Pinamonti, M; Anderson, JE; Ramana, CV; Koranne, PS; (2002) Conformational Studies by Dynamic NMR. 91. Conformational Stereodynamics of Tetraethylmethane and Analogous C(CH2X)4 Compounds. Journal of Organic Chemistry , 67 (18) pp. 6387-6394.

Haaland, A; Shorokhov, DJ; Tutukin, AV; Volden, HV; Swang, O; McGrady, GS; Kaltsoyannis, N; (2002) Molecular structures of two metal tetrakis(tetrahydroborates), Zr(BH4)(4) and U(BH4)(4): Equilibrium conformations and barriers to internal rotation of the triply bridging BH4 groups. INORG CHEM , 41 (25) 6646 - 6655. 10.1021/ic020357z.

Hale, KJ; Dimopoulos, P; Cheung, MLF; Frigerio, M; Steed, JW; Levett, PC; (2002) A Biosynthetic Proposal for Ring Formation in the Antitumor Agent Halichomycin. Asymmetric Synthesis of the AB-Carbon Backbone of Halichomycin. ORGANIC LETTERS , 4 (6) pp. 897-900.

Hale, KJ; Hummersone, MG; Manaviazar, S; Frigerio, M; (2002) The chemistry and biology of the bryostatin antitumour macrolides (1982-2001). Natural Products Reports , 19 (4) pp. 413-453.

Hale, KJ; Lazarides, L; (2002) Synthesis of an L-proline modified mimetic of the A83586C antitumour cyclodepsipeptide. Chemical Communications (17) pp. 1832-1833.

Hale, KJ; Lazarides, L; (2002) Synthetic Route to the GE3 Cyclodepsipeptide. Organic Letters , 4 (11) pp. 1903-1906.

Harper, SM; Hu, WP; Price, SD; (2002) Imaging the electron transfer reaction of Ne2+ with Ar using position-sensitive coincidence spectroscopy. J PHYS B-AT MOL OPT , 35 (21) 4409 - 4423.

Hautot, D; Day, P; Long, GJ; Grandjean, F; Ensling, J; Guetlich, P; (2002) M”ssbauer Spectral Study of Two Layered Honeycomb Molecular Magnets: PPh4FeIIFeIII(ox)3 and NBu4FeIIFeIII(ox)3. Hyperfine Interactions (C) , 5 371-.

Higgins, FM; de Leeuw, NH; Parker, SC; (2002) Modelling the effect of water on cation exchange in zeolite A. J MATER CHEM , 12 (1) 124 - 131.

Hillier, AC; Sella, A; Elsegood, MRJ; (2002) The reaction of samarium(II) with manganese carbonyl: unexpected conversion of CO to formate. X-ray crystal structures of [Sm(Tp(Me2))(2)]Mn(CO)(5) and {[Sm(Tp(Me2))(2)](2)(mu-HCO2)}Mn(CO)(5) (Tp(Me2) = HB(3,5-dimethylpyrazolyl). J ORGANOMET CHEM , 664 (1-2) 298 - 305.

Hogarth, G; Sarykahya, F; Penturk, OS; (2002) Thermal reactions of dimanganese decacarbonyl with tetraalkyldiphosphine disulfides (R = Me, Et, Pr-n, Bu-n) and crystal structure of [Mn-2(CO)(8)(mu-PBu2n)(2)]. POLYHEDRON , 21 (7) 791 - 795.

Holt, KB; Chatterjee, A; Wiltshire, R; Compton, RG; Foord, JS; Compton, RG; (2002) Abrasive Stripping Voltammetry of silver and tin at boron-doped diamond electrodes. Diamond and Related Materials , 11 (3-6) 646 - 650.

Holt, KB; Sabin, G; Foord, JS; Compton, RG; Marken, F; (2002) Reduction of tetrachloroaurate (III) at boron-doped diamond electrodes: gold deposition vs gold colloid formation. Electroanalysis , 14 (12) 797 - 803.

Holt, KE; Swift, JP; Smith, MEB; Taylor, SJC; McCague, R; (2002) An efficient stereoselective synthesis of Z-(2S)- and Z-(2R)-2-tert-butoxycarbonylamino-6-hydroxyhex-4-enoic acid, key intermediates in the synthesis of (2S,4S,5R)-(-)- and (2R,4R,5S)-(+)-bulgecinine. TETRAHEDRON LETTERS , 43 (8) pp. 1545-1548. 10.1016/S0040-4039(01)02338-3.

Howorka, S; Bayley, H; (2002) High-throughput scanning mutagenesis by recombination polymerase chain reaction. Methods Mol Biol , 182 pp. 139-147.

Howorka, S; Bayley, H; (2002) Probing distance and electrical potential within a protein pore with tethered DNA. BIOPHYS J , 83 (6) 3202 - 3210.

Howorka, S; Cheley, S; Movileanu, L; Braha, O; Bayley, H; (2002) DNA duplex formation of individual DNA strands within a single protein pore. BIOPHYS J , 82 (1) 508A - 508A.

Hu, WP; Harper, SM; Price, SD; (2002) A position-sensitive coincidence spectrometer to image the kinematics of the bimolecular reactions of molecular dications. Measurement Science & Technology , 13 (10) pp. 1512-1522.

Hull, S; Keen, DA; Sivia, DS; Madden, PA; Wilson, M; (2002) The high-temperature superionic behaviour of Ag<inf>2</inf>S. Journal of Physics Condensed Matter , 14 (1) 10.1088/0953-8984/14/1/102.

Humeres, E; de Souza, EP; Debacher, NA; Aliev, AE; (2002) Synthesis and coordinating ability of chitosan dithiocarbamate and analogs towards Cu(II) ions. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY , 15 (12) 852 - 857. 10.1002/poc.559.

Ioannou, M; Porter, MJ; Saez, F; (2002) A ring expansion reaction of 1,3-oxathiolanes. CHEM COMMUN (4) 346 - 347.

Joel, S; Mikol, C; Marson, C; Perry, J; Rioja, A; Clark, S; Young, B; (2002) The Determination of Histone Deacetylase Activity in Intact Cells using a Non-Isotopic Assay. British Journal of Cancer , 86 (S1) S78-S79.

Kaltsoyannis, N; Rowley, DM; (2002) Ab initio investigations of the potential energy surfaces of the XO+HO2 reaction (X = chlorine or bromine). PHYS CHEM CHEM PHYS , 4 (3) 419 - 427.

Khettar, A; Jalili, SE; Dunne, LJ; Manos, G; Du, ZM; (2002) Monte-Carlo simulation and mean-field theory interpretation of adsorption preference reversal in isotherms of alkane binary mixtures in zeolites at elevated pressures. CHEM PHYS LETT , 362 (5-6) 414 - 418.

Koudriachova, M; Harrison, NM; de Leeuw, SW; (2002) Density-functional simulations of lithium intercalation in rutile. Physical Review B , 65 (23) 235423-. 10.1103/PhysRevB.65.235423.

Krug, S; Evans, JRG; TerMaat, JHH; (2002) Differential sintering in ceramic injection moulding. Journal of the European Ceramic Society , 22 pp. 173-181.

Krug, S; Evans, JRG; TerMaat, JHH; (2002) Packing and solidification in ceramic injection moulding. Journal of Materials Research , 16 pp. 1829-1837.

Krug, S; Evans, JRG; TerMaat, JHH; (2002) Reaction and transport kinetics for depolymerization within a porous body. American Institute of Chemical Engineers Journal , 48 pp. 1533-1541.

Krug, S; Evans, JRG; TerMaat, JHH; (2002) Solidification of large section ceramic injection mouldings under low pressure. Journal of Materials Science , 37 pp. 2835-2841.

Kurmaev, EZ; Moewes, A; Chiuzbian, SG; Finkelstein, LD; Neumann, M; Turner, SS; Day, P; (2002) Valence Band Spectra of BEDT-TTF and TTF Based Magnetic Charge Transfer Salts. Physical Review B , 65 (23) art-235106.

Kuznetsov, MV; Morozov, YG; Borovinskaya, IP; Maximov, YM; Parkin, IP; Pankhurst, QA; (2002) Iron-containing materials FeM (M = B, Cr, Ti or VN) prepared by self-propagating high-temperature synthesis. MENDELEEV COMMUN (1) 25 - 27. 10.1070/MC2002v012n01ABEH001523.

Kuznetsov, MV; Morozov, YG; Borovinskaya, IP; Maximov, YM; Parkin, IP; Pankhurst, QA; (2002) Iron-containing materials FeM (M = B, Cr, Ti or Vn) prepared by self-propagating high-temperature synthesis. Mendeleev Communications , 12 (1) pp. 25-27.

Kuznetsov, MV; Parkin, IP; Morozov, YG; Merzhanov, AG; (2002) Self-Propogating High-Temperature Synthesis of Chromium Substituted Lanthanide-Barium-Copper Oxides, LnBa2Cu3-xCrxO7-y (Ln=Y; La; Nd; Sm and Yb). Eurasian Chemico-Technological Journal , 4 (2) pp. 73-86.

Lappas, A; Waldron, JEL; Green, MA; Prassides, K; (2002) Magnetic ordering in the charge-ordered Nb12O29. Physical Review B , 65 (13) art-134405.

Lee, SO; Kitchin, SJ; Harris, KDM; Sankar, G; Dugal, M; Thomas, JM; (2002) Acid-catalyzed trimerization of acetaldehyde: A highly selective and reversible transformation at ambient temperature in a zeolitic solid. J PHYS CHEM B , 106 (6) 1322 - 1326. 10.1021/jp012440y.

Lewis, DW; Ruiz-Salvador, AR; Almora-Barrios, N; Gomez, A; Mistry, M; (2002) Modelling of hydrated Ca-rich zeolites. MOLECULAR SIMULATION , 28 (6-7) pp. 649-661. 10.1080/08927020290030189.

Leyland, NS; Evans, JRG; (2002) Lithographic printing of ceramics. Journal of the European Ceramic Society , 22 pp. 1-13.

Leyland, NS; Evans, JRG; Harrison, DJ; (2002) Lithographic printing of force-sensitive resistors. Journal of Materials Science: Materials in Electronics , 13 pp. 387-390.

Lindsay, R; Michelangeli, E; Daniels, BG; Ashworth, TV; Limb, AJ; Thornton, G; Gutiérrez-Sosa, A; (2002) Impact of defects on the surface chemistry of ZnO(0001 macro)-O. J Am Chem Soc , 124 (24) pp. 7117-7122.

Lloyd, RC; Smith, MEB; Brick, D; Taylor, SJC; Chaplin, DA; McCague, R; (2002) Chemoenzymatic synthesis of the four diastereoisomers of 4-hydroxypipecolic acid from N-acetyl-(R,S)-allylglycine: Chiral scaffolds for drug discovery. ORGANIC PROCESS RESEARCH & DEVELOPMENT , 6 (6) pp. 762-766. 10.1021/op020017x.

Lowe, JA; Hill, CH; King, FD; (2002) The chemistry of biological processes - Editorial overview. CURRENT OPINION IN DRUG DISCOVERY & DEVELOPMENT , 5 (5) pp. 681-682.

Macmillan, D; Daines, AM; Bayrhuber, M; Flitsch, SL; (2002) Solid-phase synthesis of thioether-linked glycopeptide mimics for application to glycoprotein semisynthesis. Org Lett , 4 (9) pp. 1467-1470.

Mahesh, S; Green, MA; Natarajan, S; (2002) Synthesis of Open-Framework Iron Phosphates, [C6N2H14][FeIII2F2(HPO4)2(H2PO4)2].2H2O and [C6N2H14]2[FeIII3(OH)F3(PO4)(HPO4)2]2.H2O, with One- and Three-Dimensional Structures. Journal of Solid State Chemistry , 165 (2) pp. 334-344.

Manning, TD; Parkin, IP; Clark, RJH; Sheel, D; Pemble, ME; Vernadou, D; (2002) Intelligent window coatings: atmospheric pressure chemical vapour deposition of vanadium oxides. J MATER CHEM , 12 (10) 2936 - 2939. 10.1039/b205427m.

Marques, N; Sella, A; Takats, J; (2002) Chemistry of the lanthanides using pyrazolylborate ligands. CHEM REV , 102 (6) 2137 - 2159. 10.1021/cr010327y.

Marson, CM; Decreau, RA; Smith, KE; (2002) Preparation of 3 alpha-Fluoro- and 3 beta-Fluoro derivatives of 5 alpha-androst-16-enes and androsta-5,16-dienes. SYNTHETIC COMMUN , 32 (14) 2125 - 2135. 10.1081/SCC-120005419.

Marson, CM; Khan, A; Porter, RA; Cobb, AJA; (2002) Construction of functionalised medium rings by stereospecific expansions of 2,3-epoxy alcohols under mild conditions. TETRAHEDRON LETT , 43 (37) 6637 - 6640.

Marson, CM; Rioja, AS; Brooke, G; Coombes, RC; Vigushin, DM; (2002) Cyclic acid anhydrides as a new class of potent, selective and non-peptidic inhibitors of geranylgeranyl transferase. BIOORG MED CHEM LETT , 12 (2) 255 - 259.

McMillan, PF; (2002) New materials from high-pressure experiments. Nature Materials , 1 (1) pp. 19-25. 10.1038/nmat716.

Meier, G; Ligneau, X; Pertz, HH; Ganellin, CR; Schwartz, JC; Schunack, W; Stark, H; (2002) Piperidino-Hydrocarbon compounds as novel non-Imidazole histamine H3-Receptor antagonists. Bioorganic and Medicinal Chemistry , 10 (8) pp. 2535-2542.

Meijer, AJHM; Farebrother, AJ; Clary, DC; (2002) Isotope Effects in the Formation of Molecular Hydrogen on a Graphite Surface via an Eley-Rideal Mechanism. The Journal of Physical Chemistry A , 106 (39) pp. 8996-9008.

Miller, III; T, F; Clary, ; D, C; (2002) Torsional path integral Monte Carlo method for the quantum simulation of large molecules. The Journal of Chemical Physics , 116 (19) pp. 8262-8269.

Mills, A; Elliott, N; Parkin, IP; O'Neill, SA; Clark, RJH; (2002) Novel TiO2 CVD films for semiconductor photocatalysis. J PHOTOCH PHOTOBIO A , 151 (1-3) 171 - 179.

Mills, A; Lee, SK; Lepre, A; Parkin, IP; O'Neill, SA; (2002) Spectral and photocatalytic characteristics of TiO2CVD films on quartz. PHOTOCH PHOTOBIO SCI , 1 (11) 865 - 868. 10.1039/b205715h.

Mirebeau, I.; Goncharenko, I.N.; Cadavez-Peres, P.; Bramwell, S.T.; Gingras, M.J.P.; Gardner, J.S.; (2002) Pressure-induced crystallization of a spin liquid. Nature , 420 (6911) pp. 54-57. 10.1038/nature01157.

Mkhonto, D; de Leeuw, NH; (2002) A computer modelling study of the effect of water on the surface structure and morphology of fluorapatite: introducing a Ca-10(PO4)(6)F-2 potential model. J MATER CHEM , 12 (9) 2633 - 2642. 10.1039/b204111a.

Mohebi, MM; Evans, JRG; (2002) A drop-on-demand ink-jet printer for combinatorial libraries and functional gradients. Journal of Combinatorial Chemistry , 4 pp. 267-274.

Monarrez, CI; Acree, WE; Abraham, MH; (2002) Prediction and mathematical correlation of the solubility of fluorene in alcohol solvents based upon the Abraham general solvation model. PHYSICS AND CHEMISTRY OF LIQUIDS , 40 (5) pp. 581-591. 10.1080/0031910029001/0428.

Morris, L; Caruana, DJ; Williams, DE; (2002) Simple system for part-per-billion-level volatile organic compound analysis in groundwater and urban air. MEAS SCI TECHNOL , 13 (4) 603 - 612.

Morrison, G; Chadwick, AV; Catlow, CRA; (2002) Computational studies of the structural and transport properties of the cellulose-water-amine oxide system. PHYS CHEM CHEM PHYS , 4 (14) 3407 - 3414. 10.1039/b107346j.

Motherwell, WB; (2002) Curiosity and simplicity in the invention and discovery of new metal-mediated reactions for organic synthesis. PURE AND APPLIED CHEMISTRY , 74 (1) 135 - 142.

Motherwell, WB; Greaney, MF; Edmunds, JJ; Steed, JW; (2002) Fluorination of sulfanyl amides using difluoroiodoarene reagents. J CHEM SOC PERK T 1 (24) 2816 - 2826. 10.1039/b209078c.

Motherwell, WB; Greaney, MF; Tocher, DA; (2002) Fluorination of alpha-phenylsulfanyl esters using difluoroiodotoluene. J CHEM SOC PERK T 1 (24) 2809 - 2815. 10.1039/b209079a.

Motherwell, WB; Storey, LJ; (2002) The trifluoromethylacetophenone-N,N-dimethyltrimethylsilylamine adduct - A new shelf stable reagent for nucleophilic trifluoromethylation. SYNLETT (4) 646 - 648.

Motherwell, WDS; Ammon, HL; Dunitz, JD; Dzyabchenko, A; Erk, P; Gavezzotti, A; Hofmann, DWM; (2002) Crystal structure prediction of small organic molecules: a second blind test. ACTA CRYSTALLOGR B , 58 647 - 661. 10.1107/S0108768102005669.

Mustapa, MFM; Harris, R; Mould, J; Chubb, NAL; Schultz, D; Driscoll, PC; Tabor, AB; (2002) Synthesis of cyclic peptides containing nor-lanthionine bridges via a triply-orthogonal protecting group strategy. TETRAHEDRON LETT , 43 (46) 8363 - 8366.

Mustapa, MFM; Harris, R; Mould, J; Chubb, NAL; Schultz, D; Driscoll, PC; Tabor, AB; (2002) Synthesis of orthogonally protected lanthionines: a reassessment of the use of alanyl beta-cation equivalents. TETRAHEDRON LETT , 43 (46) 8359 - 8362.

Nartowski, AM; Parkin, IP; (2002) Solid state metathesis synthesis of metal silicides; reactions of calcium and magnesium silicide with metal oxides. POLYHEDRON , 21 (2) 187 - 191.

Newport, A; Carmalt, CJ; Parkin, IP; O'Neill, SA; (2002) The dual source APCVD of titanium nitride thin films from reaction of hexamethyldisilazane and titanium tetrachloride. J MATER CHEM , 12 (6) 1906 - 1909. 10.1039/b201974b.

Niemeyer, D; Williams, DE; Smith, P; Pratt, KFE; Slater, B; Catlow, CRA; Stoneham, AM; (2002) Experimental and computational study of the gas-sensor behaviour and surface chemistry of the solid-solution Cr2-xTixO3 (x <= 0.5). J MATER CHEM , 12 (3) 667 - 675. 10.1039/b106554h.

Nur, HM; Song, JH; Evans, JRG; Edirisinghe, MJ; (2002) Ink-jet printing of gold conductive tracks. J MATER SCI-MATER EL , 13 (4) 213 - 219.

O'Grady, E; Kaltsoyannis, N; (2002) On the inverse trans influence. Density functional studies of [MOX5](n-) (M = Pa, n=2; M = U, n=1; M = Np, n=0; X = F, Cl or Br). J CHEM SOC DALTON (6) 1233 - 1239. 10.1039/b109696f.

Ojo, SA; Slater, B; Catlow, CRA; (2002) Computer simulation of calcite growth inhibition: A study of monophosphonate interaction with calcite. MOLECULAR SIMULATION , 28 (6-7) 591 - 606. 10.1080/08927020290030152.

Palma, J; Echave, J; Clary, DC; (2002) Rate Constants for the CH4+H -> CH3+H2 Reaction Calculated with a Generalized Reduced-Dimensionality Method. The Journal of Physical Chemistry A , 106 (36) pp. 8256-8260.

Palma, J; Echave, J; Clary, DC; (2002) The effect of the symmetric and asymmetric stretching vibrations on the CH3D+O(3P)-> CH3+OD reaction. Chemical Physics Letters , 363 (5-6) pp. 529-533.

Pang, CL; Raza, H; Haycock, SA; Thornton, G; (2002) Noncontact atomic force microscopy imaging of ultrathin Al2O3 on NiAl(110). PHYS REV B , 65 (20) , Article 201401. 10.1103/PhysRevB.65.201401.

Parkin, IP; (2002) Solvent free reactions in the solid state: solid state metathesis. TRANSIT METAL CHEM , 27 (6) 569 - 573.

Peng, HX; Fan, Z; Mudher, DS; Evans, JRG; (2002) Microstructures and mechanical properties of engineered short fibre reinforced aluminium matrix composites. Materials Science and Engineering: A , 335A pp. 207-216.

Pereira, JCG; Catlow, CRA; Price, GD; (2002) Molecular dynamics simulation of methanolic and ethanolic silica-based sol-gel solutions at ambient temperature and pressure. J PHYS CHEM A , 106 (1) 130 - 148. 10.1021/jp010078h.

Perry, JSA; Gingell, JM; Newson, KA; To, J; Watanabe, N; Price, SD; (2002) An apparatus to determine the rovibrational distribution of molecular hydrogen formed by the heterogeneous recombination of H atoms on cosmic dust analogues. MEAS SCI TECHNOL , 13 (9) 1414 - 1424.

Pogrebnya, SK; Clary, DC; (2002) A full-dimensional quantum dynamical study of vibrational relaxation in H2+H2. Chemical Physics Letters , 363 (5-6) pp. 523-528.

Powell, HS; (2002) Sites in Motion. Prague to Bucharest. alternative theatre initiatives in Eastern Europe. Art Margins

Power, EA; Thirunamachandran, T; (2002) Casimir potentials: a chemical viewpoint. Journal of Molecular Structure: THEOCHEM , 591 (1-3) pp. 19-25.

Power, EA; Thirunamachandran, T; (2002) The exponential of the curl: Application to Maxwell fields. American Journal of Physics , 70 (11) pp. 1136-1142.

Rager, J; Berenov, AV; Cohen, LF; Branford, WR; Bugoslavsky, YV; Miyoshi, Y; Ardakani, M; (2002) Highly aligned, spin polarized thin films of Sr2FeMoO6 by a chemical vapor process. Applied Physics Letters , 81 (26) pp. 5003-5005.

Raja, R; Lee, SO; Sanchez-Sanchez, M; Sankar, G; Harris, KDM; Johnson, BFG; Thomas, JM; (2002) Towards an environmentally acceptable heterogeneous catalytic method of producing adipic acid by the oxidation of hydrocarbons in air. TOP CATAL , 20 (1-4) 85 - 88.

Russo, MR; Kaltsoyannis, N; (2002) Are YbCp*2 and NoCp*2 bent? Journal of Nuclear Science and Technology , supple pp. 393-399.

Russo, MR; Kaltsoyannis, N; Sella, A; (2002) Are metal alkoxides linear owing to electrostatic repulsion? CHEM COMMUN (20) 2458 - 2459. 10.1039/b207435d.

Ryan, MP; Williams, DE; Chater, RJ; Hutton, BM; McPhail, DS; (2002) Why stainless steel corrodes. Nature , 415 (6873) pp. 770-774.

Salzmann, C; Kohl, I; Loerting, T; Mayer, E; Hallbrucker, A; (2002) The Raman Spectrum of Ice XII and Its Relation to that of a New “High-Pressure Phase of H 2 O Ice”. The Journal of Physical Chemistry B , 106 (1) pp. 1-6. 10.1021/jp012755d.

Salzmann, CG; Loerting, T; Kohl, I; Mayer, E; Hallbrucker, A; (2002) Pure ice IV from high-density amorphous ice. J PHYS CHEM B , 106 (22) 5587 - 5590. 10.1021/jp014391v.

Sasse, A; Ligneau, X; Rouleau, A; Elz, S; Ganellin, CR; Arrang, JM; Schwartz, JC; (2002) Influence of Bulky Substituents on Histamine H3 Receptor Agonist/Antagonist Properties. Journal of Medicinal Chemistry , 45 (18) pp. 4000-4010.

Sastre, G; Catlow, CRA; Corma, A; (2002) Influence of the intermolecular interactions on the mobility of heptane in the supercages of MCM-22 zeolite. A molecular dynamics study. J PHYS CHEM B , 106 (5) 956 - 962. 10.1021/jp013589c.

Sayle, DC; Catlow, CRA; Dulamita, N; Healy, MJF; Maicaneanu, SA; Slater, B; Watson, GW; (2002) Modelling oxide thin films. MOLECULAR SIMULATION , 28 (6-7) 683 - 725. 10.1080/08927020290030224.

Schunack, W; Stark, H; Garbarg, M; Ligneau, X; Schwartz, JC; Ganellin, CR; (2002) Potent Partial Agonists for the Histamine H3 Receptor Lacking a Nitrogen Atom in the Side Chain. Abstracts of Papers of the American Chemical Society , 223 MEDI-9.

Setifi, F; Golhen, S; Ouahab, L; Turner, SS; Day, P; (2002) Preparation, X-ray crystal structures and properties of alpha-(BEDT-TTF)2Fe[(Phen)(NCS)4].2CH2Cl2 and (BEDT-TTF)[Cr(isoq)2(NCS)4]; phen= 1,10-phenanthroline and isoq= isoquinoline. CrystEngComm , 4 pp. 1-6.

Shah, N; Green, MA; Neumann, DA; (2002) Phase stability in the LnCa2Mn2O7 (Ln=Pr, Nd, Sm and Gd) Ruddlesden-Popper series. Journal of Physics and Chemistry of Solids , 63 (9) pp. 1779-1786.

Shaw, GA; Parkin, IP; (2002) Solvent mediated metathetical approach to the room temperature synthesis of ternary (mixed metal) chalcogenide materials in liquid ammonia. MAIN GROUP MET CHEM , 25 (7) 453 - 462.

Shi, NL; Feng, JW; Guo, YF; Liu, YY; Guo, ZX; (2002) Effects of Nitridation on Properties of SiC Fibre and Interface of Ti Matrix Composites. Journal of Materials Science and Technology , 18 pp. 563-565.

Shi, Z; Guo, ZX; Song, JH; (2002) A diffusion-controlled kinetic model for binder burnout in a powder compact. Acta Materialia , 50 (8) pp. 1937-1950. 10.1016/S1359-6454(02)00036-8.

Simperler, A; Bell, RG; Philippou, A; Anderson, MW; (2002) Theoretical study of toluene adsorbed on zeolites X and Y: Calculation of C-13 NMR parameters. J PHYS CHEM B , 106 (42) 10944 - 10954. 10.1021/jp0257799.

Slater, B; Richard, C; Catlow, A; Liu, Z; Ohsuna, T; Terasaki, O; Camblor, MA; (2002) Surface structure and crystal growth of zeolite Beta C. ANGEW CHEM INT EDIT , 41 (7) 1235 - +.

Smith, GD; Clark, RJH; (2002) Note on Lead(II) Oxide in Mediaeval Frescoes from the Monastery of San Baudelio, Spain. Applied Spectroscopy , 56 (6) pp. 804-806.

Smith, GD; Clark, RJH; (2002) Raman microscopy in art history and conservation science. Reviews in Conservation , 2 pp. 92-106.

Smith, GD; Clark, RJH; (2002) The role of H2S in pigment blackening. Journal of Cultural Heritage , 3 (2) pp. 101-105.

Smith, GD; Derbyshire, A; Clark, RJH; (2002) In Situ Spectroscopic Detection of Lead Sulphide on a Blackened Manuscript Illimunation by Raman Microscopy. Studies in Conservation , 47 pp. 250-256.

Smith, GD; Firth, S; Clark, RJH; Cardona, M; (2002) First- and second-order Raman spectra of galena (PbS). Journal of Applied Physics , 92 (8) pp. 4375-4380.

Smith, RAL; Fielding, HH; (2002) Rydberg electron wavepacket dynamics in a molecule: How important is the core. ABSTR PAP AM CHEM S , 223 C40 - C40.

Sokol, AA; Catlow, CRA; Garces, JM; Kuperman, A; (2002) Local states in microporous silica and aluminum silicate materials. 1. Modeling structure, formation, and transformation of common hydrogen containing defects. J PHYS CHEM B , 106 (24) 6163 - 6177. 10.1021/jp0133384.

Song, Y; Guo, ZX; Yang, R; (2002) First principles studies of TiAl-based alloys. Journal of Light Metals , 2 (3 SPEC.) pp. 115-123. 10.1016/S1471-5317(02)00038-X.

Song, Y; Guo, ZX; Yang, R; (2002) Influence of interstitial elements on the bulk modulus and theoretical strength of α-titanium: A first-principles study. Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties , 82 (7) pp. 1345-1359. 10.1080/01418610110113011.

Song, Y; Guo, ZX; Yang, R; Li, D; (2002) First principles study of influence of alloying elements on TiAl: Cleavage strength and deformability. Computational Materials Science , 23 (1-4) pp. 55-61. 10.1016/S0927-0256(01)00212-9.

Song, Y; Yang, R; Guo, ZX; (2002) First principles estimation of bulk modulus and theoretical strength of titanium alloys. Materials Transactions , 43 (12) pp. 3028-3031.

Swainson, IP; Hammond, RP; Cockcroft, JK; Weir, RD; (2002) Apparently continuous isosymmetric transition in ammonium hexafluorophosphate NH4PF6. PHYS REV B , 66 (17) , Article 174109. 10.1103/PhysRevB.66.174109.

Thomas, JM; Catlow, CRA; Sankar, G; (2002) Determining the structure of active sites, transition states and intermediates in heterogeneously catalysed reactions. CHEM COMMUN (24) 2921 - 2925. 10.1039/b210679p.

Tilocca, A; Borzone, P; Carosio, S; Durante, A; (2002) Detecting fabric defects with a neural network using two kinds of optical patterns. TEXT RES J , 72 (6) 545 - 550.

Tilocca, A; Gamba, A; Vanoni, MA; Fois, E; (2002) First-principles molecular dynamics investigation of the D-amino acid oxidative half-reaction catalyzed by the flavoenzyme D-amino acid oxidase. BIOCHEMISTRY-US , 41 (48) 14111 - 14121. 10.1021/bi020309q.

Turner, SS; Le Pevelen, D; Prout, CK; Day, P; (2002) Synthesis, Structure and Physical Properties of TTF-Based Conducting Charge Transfer Salts with Anions Containing Selenocyanate Ligands. Journal of Solid State Chemistry , 168 (2) pp. 573-581.

Uchino, T; Clary, DC; Elliott, SR; (2002) Microscopic mechanisms for photoinduced metastability in amorphous As2S3. Physical Review B , 65 (17) art-174204.

Urbaniak, MD; Muskett, FW; Finucane, MD; Caddick, S; Woolfson, DN; (2002) Solution structure of a novel chromoprotein derived from apo-Neocarzinostatin and a synthetic chromophore. BIOCHEMISTRY-US , 41 (39) 11731 - 11739. 10.1021/bi0262146.

Verlet, JRR; Stavros, VG; Fielding, HH; (2002) Wave-packet isotope separation using phase-locked pulses. PHYS REV A , 65 (3) , Article 032504. 10.1103/PhysRevA.65.032504.

Wan, BYC; Peh, KH; Yue, SC; Assem, ESK; Pearce, FL; (2002) Effect of cationic peptides on rat ileum muscle contraction and histamine release from rat peritoneal mast cells. Inflammation Research , 51 (S1) S15-S16.

Watts, ID; Carling, SG; Day, P; (2002) Site dilution of two-dimensional honeycomb molecular ferrimagnets AFe(II)Fe(III)(C2O4)(3) (A = (n-C4H9)N, P(C6H5)(4)) (vol 3, pg 4418, 2001). PHYS CHEM CHEM PHYS , 4 (24) 6144 - 6144. 10.1039/b103999g.

Watts, ID; Carling, SG; Day, P; (2002) Synthesis, Structure and Magnetic Properties of Organic-Intercalated Bimetallic Molecular-Based Ferrimagnets (n-CnH2n+1)PPh3MIIFeIII(C2O4)3 (MII = Mn, Fe; n = 3-7). Journal of the Chemical Society, Dalton Transactions , 168 pp. 1429-1434.

Watts, ID; Carling, SG; Day, P; (2002) Synthesis, structure and magnetic properties of organic-intercalated bimetallic molecular-based ferrimagnets (n-CnH2n+1)(PPh3MFeIII)-Fe-II(C2O4)(3), (M-II = Mn, Fe; n=3-7). J CHEM SOC DALTON (7) 1429 - 1434. 10.1039/b107057f.

Whitby, RLD; Hsu, WK; Fearon, PK; Billingham, NC; Maurin, I; Kroto, HW; Walton, DRM; (2002) Multiwalled Carbon Nanotubes Coated with Tungsten Disulfide. Chemistry of Materials , 14 (5) pp. 2209-2217.

Whitmore, L; Sokol, AA; Catlow, CRA; (2002) Surface structure of zinc oxide (1010), using an atomistic, semi-infinite treatment. SURF SCI , 498 (1-2) 135 - 146.

Wilding, MC; Benmore, CJ; McMillan, PF; (2002) A neutron diffraction study of yttrium- and lanthanum-aluminate glasses. JOURNAL OF NON-CRYSTALLINE SOLIDS , 297 (2-3) pp. 143-155. 10.1016/S0022-3093(01)00933-4.

Wilding, MC; McMillan, PF; Navrotsky, A; (2002) Calorimetric study of glasses and liquids in the polyamorphic system Y2O3-Al2O3. PHYSICS AND CHEMISTRY OF GLASSES , 43 (6) pp. 306-312.

Wilding, MC; McMillan, PF; Navrotsky, A; (2002) Thermodynamic and structural aspects of the polyamorphic transition in yttrium and other rare-earth aluminate liquids. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS , 314 (1-4) pp. 379-390. 10.1016/S0378-4371(02)01045-2.

Williams, DE; Aliwell, SR; Pratt, KFE; Caruana, DJ; Jones, RL; Cox, RA; Hansford, GM; (2002) Modelling the response of a tungsten oxide semiconductor as a gas sensor for the measurement of ozone. MEAS SCI TECHNOL , 13 (6) 923 - 931.

Wills, AS; (2002) Symmetry and magnetic structure determination: developments in refinement techniques and examples. APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING , 74 S856-S858. 10.1007/s003390101159.

Wills, AS; Ballou, R; Lacroix, C; (2002) Model of localized highly frustrated ferromagnetism: The kagome spin ice. PHYS REV B , 66 (14) , Article 144407. 10.1103/PhysRevB.66.144407.

Wilson, DJ; French, SA; Catlow, CRA; (2002) Computational studies of intrinsic defects in silver chloride. RADIAT EFF DEFECT S , 157 (6-12) 857 - 861. 10.1080/1042015022000037706.

Wilson, M; (2002) Structure and phase stability of novel 'twisted' crystal structures in carbon nanotubes. Chemical Physics Letters , 366 (5-6) pp. 504-509. 10.1016/S0009-2614(02)01613-5.

Wilson, M; (2002) The formation of low-dimensional ionic crystallites in carbon nanotubes. Journal of Chemical Physics , 116 (7) pp. 3027-3041. 10.1063/1.1434948.

Wilson, M; Hutchinson, F; Madden, PA; (2002) Simulation of pressure-driven phase transitions from tetrahedral crystal structures. Physical Review B , 65 (9) art-094109.

Wilson, M; Madden, PA; (2002) Transformations between tetrahedrally and octahedrally coordinated crystals: The wurtzite → rocksalt and blende → rocksalt mechanisms. Journal of Physics Condensed Matter , 14 (18) pp. 4629-4643. 10.1088/0953-8984/14/18/301.

Wright, K; Cygan, RT; Slater, B; (2002) Impurities and non-stoichiometry in the bulk and on the surface of dolomite. Geochimica et Cosmochimica Acta , 66 pp. 2541-2546.

Wright, K; Cygan, RT; Slater, B; (2002) Impurities and nonstoichiometry in the bulk and on the (1014) surface of dolomite. GEOCHIM COSMOCHIM AC , 66 (14) 2541 - 2546.

Yamazaki, S; Taira, Z; Yonemura, T; Deeming, AJ; Nakao, A; (2002) Mixed Metal Compounds Bridged by 1,4-Diphenylbuta-1,3-diyne Derived by C-C bond Coupling of Alkynyl Ligands. Chemistry Letters , 31 (12) pp. 1174-1175.

Yang, K; Chen, D; Chen, L; Guo, ZX; (2002) Microstructure, electrochemical performance and gas-phase hydrogen storage property of Zr0.9Ti0.1[(Ni,V,Mn)0.95 Co0.05]α laves phase alloys. Journal of Alloys and Compounds , 333 (1-2) pp. 184-189. 10.1016/S0925-8388(01)01724-8.

Zenonos, C; Sankar, G; Cora, F; Lewis, DW; Pankhurst, QA; Catlow, CRA; Thomas, JM; (2002) On the nature of iron species in iron substituted aluminophosphates. PHYS CHEM CHEM PHYS , 4 (21) 5421 - 5429. 10.1039/b202155b.

Zhang, J; Pan, FS; Guo, ZX; Ding, PD; Wang, LY; (2002) Phase Study of Magnesium Alloys Containing Zirconium. Ordnance Material Science and Engineering , 25 pp. 50-56.

Zhao, X; Evans, JRG; Edirisinghe, MJ; Song, JH; (2002) Ink-jet printing of ceramic pillar arrays. J MATER SCI , 37 (10) 1987 - 1992.

Zhao, XL; Evans, JRG; Edirisinghe, MJ; Song, JH; (2002) Direct ink-jet printing of vertical walls. J AM CERAM SOC , 85 (8) 2113 - 2115.

Zhao, YH; Abraham, MH; Le, J; Hersey, A; Luscombe, CN; Beck, G; Sherborne, B; (2002) Rate-limited steps of human oral absorption and QSAR studies. Pharm Res , 19 (10) pp. 1446-1457.

Zhao, YH; Le, J; Abraham, MH; Hersey, A; Eddershaw, PJ; Luscombe, CN; Butina, D; (2002) Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with Abraham descriptors (vol 90, pg 749, 2001). JOURNAL OF PHARMACEUTICAL SCIENCES , 91 (2) p. 605. 10.1002/jps.10118.

Zissimos, AM; Abraham, MH; Barker, MC; Box, KJ; Tam, KY; (2002) Calculation of Abraham descriptors from solvent-water partition coeffcients in four different systems; evaluation of different methods of calculation. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 (3) pp. 470-477. 10.1039/b110143a.

Zissimos, AM; Abraham, MH; Du, CM; Valko, K; Bevan, C; Reynolds, D; Wood, J; (2002) Caluclation of Abraham descriptors from experimental data from 7 HPLC systems, evaluation of five different methods of calculation. Journal of the Chemical Society, Perkin Transactions 2 (12) pp. 2001-2010.

Zissimos, AM; Abraham, MH; Klamt, A; Eckert, F; Wood, J; (2002) A comparison between the two general sets of linear free energy descriptors of Abraham and Klamt. J Chem Inf Comput Sci , 42 (6) pp. 1320-1331.

Zunszain, PA; Shah, MM; Miscony, Z; Javadzadeh-Tabatabaie, M; Haylett, DG; Ganellin, CR; (2002) Tritylamino Aromatic Heterocycles and Related Carbinols as Blockers of Ca2+-Activated Potassium Ion Channels Underlying Neuronal Hyperpolarization. Archiv der Pharmazie , 335 (4) pp. 159-166.

Zunszain, PA; Shah, MM; Miscony, Z; Javadzadeh-Tabatabaie, M; Haylett, DG; Ganellin, CR; (2002) Tritylamino aromatic heterocycles and related carbinols as blockers of ca 2+-activated potassium ion channels underlying neuronal hyperpolarization. Arch Pharm (Weinheim) , 335 (4) pp. 159-166. 10.1002/1521-4184(200204)335:4<159::AID-ARDP159>3.0.CO;2-K.

Zwijnenburg, MA; Bromley, ST; van Alsenoy, C; Maschmeyer, T; (2002) Factors affecting ionicity in all-silica materials: A density functional cluster study. J PHYS CHEM A , 106 (51) 12376 - 12385. 10.1021/jp025696s.

al Dulaimi, JP; Bond, AM; Clark, RJH; Harden, NC; Humphrey, DG; (2002) The use of spectroelectrochemistry to probe the redox-activated ligand-exchange reactions of the complexes trans-[NBu4][RuX4(CNXyl)2] (X = Cl or Br, Xyl = 2,6-dimethylphenyl). Journal of the Chemical Society, Dalton Transactions (12) pp. 2541-2547.

de Leeuw, NH; (2002) Density functional theory calculations of local ordering of hydroxy groups and fluoride ions in hydroxyapatite. PHYS CHEM CHEM PHYS , 4 (15) 3865 - 3871. 10.1039/b203114k.

de Leeuw, NH; (2002) Density functional theory calculations of solid solutions of fluor- and chlorapatites. CHEM MATER , 14 (1) 435 - 441. 10.1021/cm011221m.

de Leeuw, NH; (2002) Molecular dynamics simulations of the growth inhibiting effect of Fe2+, Mg2+, Cd2+, and Sr2+ on calcite crystal growth. J PHYS CHEM B , 106 (20) 5241 - 5249. 10.1021/jp014488h.

van Mourik, T; Emson, LEV; (2002) A theoretical study of the conformational landscape of serotonin. Physical Chemistry Chemical Physics , 4 (23) pp. 5863-5871.

van Mourik, T; Gdanitz, RJ; (2002) A critical note on density functional theory studies on rare-gas dimers. The Journal of Chemical Physics , 116 (22) pp. 9620-9623.

Book chapter

Aliev, AE; Law, RV; (2002) Solid-state NMR Spectroscopy. In: Gilbert, BC and Allen, DW and Barrett, G and Davidson, G and Davies, J and Davies, M and Dunkin, IR and Green, M and Hinchliffe, A and Murphy, DM and Spivey, JJ and Tebby, JC and Webb, G, (eds.) Specialist Periodical Reports: Nuclear Magnetic Resonance. (pp. 225-288). The Royal Society of Chemistry

Beale, A; Stavitski, E; Weckhuysen, BM; (2002) Encyclopedia of Catalysis Online Edition. In: Horváth, IT and Library, WO, (eds.) Encyclopedia of Catalysis Online Edition. Wiley-Interscience

Brennan, JG; Sella, A; (2002) Scandium, Yttrium and the Lanthanides. In: Gilbert, BC and Allen, DW and Barrett, G and Davidson, G and Davies, J and Davies, M and Dunkin, IR and Green, M and Hinchliffe, A and Murphy, DM and Tebby, JC and Webb, G, (eds.) Specialist Periodical Reports: Organometallic Chemistry. (pp. 91-115). Royal Society of Chemistry

Campbell, C; Heller, A; Caruana, DJ; Schmidtke, D; (2002) Electrodes based on the Electrical "wiring" of Enzymes. In: Brajter-Toth, A and Chambers, J, (eds.) Electroanalytical Methods for Biological Materials. Marcel Dekker Inc.

Chaplin, TD; Clark, RJH; Jacobs, D; Jensen, K; Smith, GD; (2002) Analysis of three Gutenberg Bibles using Raman Microscopy. In: Raman Spectroscopy. (pp. 823-824). Wiley: Chichester.

Clark, RJH; (2002) Raman Microscopy: Sensitive Probe of Pigments on Manuscripts, Paintings and Other Artefacts. In: Raman Spectroscopy. (pp. 25-28). Wiley: Chichester.

Clark, RJH; (2002) Applications of Raman Spectroscopy to the Identification and Conservation of Pigments on Art Objects. In: Chalmers, JM and Griffiths, PR, (eds.) Handbook of Vibrational Spectroscopy. (pp. 2977-2992). Wiley: Chichester.

Hailes, HC; (2002) The Synthesis of Fragrant Cyclopentane Systems. Advances in Flavours and Fragrances. In: Swift, KAD, (ed.) From the Sensation to the Synthesis. (pp. 127-137). RSC Press

Howorka, S; Bayley, H; (2002) High-throughput scanning mutagenesis by recombination PCR. In: Braman, J, (ed.) In vitro Mutagenesis Protocols. (pp. 139-147). Humana Press: Totowa, NJ.

Marson, CM; (2002) Heterocyclic Chemistry. In: Meyers, RA, (ed.) Encyclopaedia of Physical Science and Technology. (pp. 321-343). Academic Press

McMillan, PF; (2002) Liquid state polymorphism. In: Hemley, RJ and Chiarotti, GL and Bernasconi, M and Ulivi, L, (eds.) High Pressure Phenomena. (pp. 511-543). IOS Press: Amsterdam.

McMillan, PF; (2002) Solid state chemistry at high pressure and high temperature. In: Hemley, RJ and Chiarotti, GL and Bernasconi, M and Ulivi, L, (eds.) High Pressure Phenomena. (pp. 477-507). IOS Press: Amsterdam.

Pang, CL; Thornton, G; (2002) Noncontact atomic force microscopy. In: Morita, S and Wiesendanger, R and Meyer, E, (eds.) Noncontact atomic force microscopy. (? - ?). Springer Verlag

Proceedings paper

Cooper, TG; De Leeuw, NH; (2002) Adsorption of methanoic acid onto the low-index surfaces of calcite and aragonite. In: MOLECULAR SIMULATION. (pp. 539 - 556). TAYLOR & FRANCIS LTD

Johnson, BFG; Raynor, SA; Brown, DB; Shephard, DS; Mashmeyer, T; Thomas, JM; Hermans, S; (2002) New catalysts for clean technology. In: JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL. (pp. 89 - 97). ELSEVIER SCIENCE BV

Rüberg, S; Linke, B; Krol, EE; Weidner, S; Schiller, UD; Kurtz, S; Giegerich, R; (2002) Construction of a microarray covering the Sinorhizobium meliloti 1021 genome. In: Finan, TM and O Brian, MR and Layzell, DB and Vessey, JK and Newton, W, (eds.) (pp. p. 388).

Steer, WA; Forster, GD; Parkin, IP; Roberts, MA; Pankhurst, QA; (2002) Exchange-driven magnetic anomalies in Fe-Zr-B-based nanocomposites. In: HYPERFINE INTERACTIONS. (pp. 223 - 230). KLUWER ACADEMIC PUBL


Alichniewicz, J; Holzschneider, G; Michael, M; Schiller, U; Stallkamp, J; (2002) Simulation von Phasenübergängen in Proteinmonoschichten. : Technische Fakultät.

Conference item

Cometto-Muniz, JE; Cain, WS; Abraham, MH; Gola, JMR; (2002) UNSPECIFIED Presented at: 9th International Conference on Indoor Air Quality and Climate, Monterey, California - Sensory detection of VOCs singly and in mixtures; odor and sensory irritation.

Herath, HMTU; DiSilvio, L; Edirisinghe, MJ; Evans, JRG; (2002) Scandia- a novel biomaterial. Presented at: 17th European Society for Biomaterials Annual Conference, 2002, Barcelona, Spain..

Mohebi, MM; Evans, JRG; (2002) Approaches to combinatorial methods of discovery in ceramic science. Presented at: Materials Congress 2002, 9-11th April.

Mohebi, MM; Evans, JRG; (2002) Functional gradients and combinatorial libraries using an ink-jet printer. Presented at: 104th Annual Meeting of the American Ceramic Society, St.Louis, April 2002.

Mohebi, MM; Evans, JRG; (2002) Solid freeforming of functionally graded materials and combinatorial libraries. Presented at: 2nd International Conference on Rapid Prototyping and Manufacturing (ICRPM) 2002, Beijing, China.

Woodley, SM; Catlow, CRA; Battle, PD; Gale, JD; (2002) The prediction of close packed and porous inorganic crystal structures. Presented at: UNSPECIFIED.

Yang, S; Evans, JRG; (2002) Acoustically induced powder dispensing and metering. Presented at: 2nd International Conference on Progress in Rapid Prototyping and Manufacturing, 2002, Beijing, China.


Rose, C; Vargas, F; Bourgeat, P; Schwartz, JC; Bishop, PB; Bambal, RB; Ganellin, CR; (2002) Institut National de la Sante et de la Recherche Medicale (INSERM) (Assignee). Tripeptidylpeptidase Inhibitors. US 6,4.

Schwartz, JC; Rose, C; Vargas, F; Ganellin, CR; Zhao, L; Sanjeeda, S; Chen, Y; (2002) Institut National de la Sante et de la Recherche Medicale (INSERM) and Bioprojet Assignees. Tripeptidyl Peptidase Inhibitors. US 6,3.

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