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Number of items: 302.

A

Abraham, MH; Al Hussaini, AJM; (2002) Solvation descriptors for N-nitrosodialkylamines; calculation of some of their properties of environmental significance. Journal of Environmental Monitoring , 4 (5) 743 - 746.

Abraham, MH; Amin, M; Zissimos, AM; (2002) The lipophilicity of Sudan I and its tautomeric forms. Physical Chemistry Chemical Physics , 4 (23) 5748 - 5752.

Abraham, MH; Blandamer, MJ; (2002) Self-Assembly Does Not Account for the Hydrophobic Effect. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , 124 (26) 7853 - 7856.

Abraham, MH; Enomoto, K; Clarke, ED; Sexton, G; (2002) Hydrogen Bond Basicity of the Chlorogroup; Hexachlorocyclohexanes as Strong Hydrogen Bond Bases. Journal of Organic Chemistry , 67 (14) 4782 - 4786.

Abraham, MH; Gola, JMR; Cometto-Muniz, JE; Cain, WS; (2002) A Model for Odour Thresholds. Chemical Senses , 27 (2) 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 Discovery Today , 7 (20) 1056 - 1063.

Abraham, MH; Zhao, YH; Le, J; Hersey, A; Luscombe, CN; Reynolds, DP; ... Cooper, I; + view all (2002) On the mechanism of human intestinal absorption. European Journal of Medicinal Chemistry , 37 (7) 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) 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) 245 - 258.

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; ... Howard, JAK; + view all (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.

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) 2541 - 2547.

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; ... Wilhelm, R; + view all (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.

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. (225 - 288). The Royal Society of Chemistry

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) 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; ... Stark, H; + view all (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) 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.

B

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) 1228 - 1240.

Barone, G; Chaplin, T; Hibbert, TG; Kana, AT; Mahon, MF; Molloy, KC; ... Price, LS; + view all (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 , 332 210 - 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) 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 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) 1649 - 1656.

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. (91 - 115). Royal Society of Chemistry

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

Brown, KL; Clark, RJH; (2002) Analysis of pigmentary materials on the Vinland Map and Tartar Relation by Raman microprobe spectroscopy. Analytical Chemistry , 74 (15) 3658 - 3661.

Bursten, B.E.; Chisholm, M.H.; Clark, R.J.H.; Firth, S.; Hadad, C.M.; MacIntosh, A.M.; ... Zaleski, J.M.; + view all (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.; ... Zaleski, J.M.; + view all (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; ... Zaleski, JM; + view all (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) 3050 - 3063. 10.1021/ja011786j.

Bursten, BE; Chisholm, MH; Clark, RJH; Firth, S; Hadad, CM; Wilson, PJ; ... Zaleski, JM; + view all (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) 12244 - 12254. 10.1021/ja020248j.

C

Caddick, S; Geoffrey, F; Cloke, N; Hitchcock, PB; Leonard, J; Lewis, AKD; ... Titcomb, LR; + view all (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; 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) 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) 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.

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.

Carling, SG; Visser, D; Hautot, D; Watts, ID; Day, P; Ensling, J; ... Grandjean, F; + view all (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; ... Grandjean, F; + view all (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) 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) 424 - 428.

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

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) 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) 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) 7 - 20.

Clark, RJH; (2002) Raman Microscopy: Sensitive Probe of Pigments on Manuscripts, Paintings and Other Artefacts. In: Raman Spectroscopy. (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. (2977 - 2992). Wiley: Chichester.

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) 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) 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) 5226 - 5231.

Clary, DC; Buonomo, E; Sims, IR; Smith, IWM; Geppert, WD; Naulin, C; ... Casavecchia, P; + view all (2002) C+C2H2: A Key Reaction in Interstellar Chemistry. The Journal of Physical Chemistry A , 106 (23) 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) 9829 - 9838.

Cometto-Mu iz, JE; Cain, WS; Abraham, MH; Gola, JMR; (2002) Psychometric Functions for the Olfactory and Trigeminal Detectability of Butyl Acetate and Toluene. Journal of Applied Toxicology , 22 (1) 25 - 30.

Cometto-Muniz, JE; Cain, WS; Abraham, MH; Gola, JMR; (2002) UNSPECIFIED In: Levin, H, (ed.) (Proceedings) 9th International Conference on Indoor Air Quality and Climate, Monterey, California - Sensory detection of VOCs singly and in mixtures; odor and sensory irritation. (pp. 237 - 242).

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) Adsorption of methanoic acid onto the low-index surfaces of calcite and aragonite. In: MOLECULAR SIMULATION. (pp. 539 - 556). TAYLOR & FRANCIS LTD

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) 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.

D

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) 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) 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 2288 - 2288.

Day, P; (2002) Molecular Magnets: The Prehistory. Notes and Records of the Royal Society of London , 56 (1) 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) 255 - 268.

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.

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.

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