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Number of items: 304.

Article

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

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

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

Abraham, MH and Enomoto, K and Clarke, ED and 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 and Gola, JMR and Cometto-Muniz, JE and Cain, WS (2002) A Model for Odour Thresholds. Chemical Senses , 27 (2) 95 - 104.

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

Abraham, MH and Zhao, YH and Le, J and Hersey, A and Luscombe, CN and Reynolds, DP and Beck, G and Sherborne, B and Cooper, I (2002) On the mechanism of human intestinal absorption. European Journal of Medicinal Chemistry , 37 (7) 595 - 605.

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

Akutsu, H and Akutsu-Sato, A and Turner, SS and Le Pevelen, D and Day, P and Laukhin, V and Klehe, AK and Singleton, J and Tocher, DA and Probert, MR and Howard, JAK (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 and Ganellin, CR (2002) Structural Properties of Group B Ligands for Transport-P. British Journal of Pharmacology , 136 Suppl - 20P.

al Dulaimi, JP and Bond, AM and Clark, RJH and Harden, NC and 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 and 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 and Catlow, CRA and Paulidou, A and 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 and Anderson, JE and Butler, D and Gonzalez-Outeirino, J and Lunazzi, L and Mazzanti, A and Steed, JW and Wilhelm, R (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 and Atkinson, CE and Harris, KDM (2002) Hydrogen bond dynamics in solid triphenylsilanol. J PHYS CHEM B , 106 (35) 9013 - 9018. 10.1021/jp0210172.

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

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

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

Anghel, AT and Day, GM and 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 and Ligneau, X and Pertz, HH and Arrang, JM and Ganellin, CR and Schwartz, JC and Schunack, W and Stark, H (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 and Motherwell, WB and Roberts, LR and 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 and Hayes, PD and 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 and Kitchin, SJ and Hix, GB and Harris, KDM and 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 and Canals, B and Elhajal, M and Lacroix, C and Wills, AS (2002) Magnetic ground state of kagome systems: the example of the jarosite family. Physica Status Solidi (B) , 236 240 - ?.

Barker, CM and Gleeson, D and Kaltsoyannis, N and Catlow, CRA and Sankar, G and 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 and Gleeson, D and Kaltsoyannis, N and Catlow, CRA and Sankar, G and 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 and Chaplin, T and Hibbert, TG and Kana, AT and Mahon, MF and Molloy, KC and Worsley, ID and Parkin, IP and Price, LS (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 and 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 and Pang, CL and Perkins, N and Smith, RD and Morrall, P and Kvon, RI and 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 and Greedan, JE and 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 and Blackman, CS and Carmalt, CJ and O'Neill, SA and Parkin, IP and Molloy, K and 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 and Carmalt, CJ and Parkin, IP and O'Neill, S and Apostolico, L and Molloy, KC and 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 and Carmalt, CJ and Parkin, IP and Apostolico, L and Molloy, KC and White, AJP and Williams, DJ (2002) Single-source CVD routes to titanium phosphide. J CHEM SOC DALTON (13) 2702 - 2709. 10.1039/b203613b.

Bououdina, M and 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 and Guo, ZX (2002) Comparative Study of Mechanical Alloying of (Mg+Al) and (Mg+Al+Ni) Mixtures for Hydrogen Storage. Journal of Alloys and Compounds , 336 222 - 231. 10.1016/S0925-8388(01)01856-4.

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

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

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

Branford, W and Green, MA and 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.

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

Brown, KL and 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. and Chisholm, M.H. and Clark, R.J.H. and Firth, S. and Hadad, C.M. and MacIntosh, A.M. and Wilson, P.J. and Woodward, P.M. and Zaleski, J.M. (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. and Chisholm, M.H. and Clark, R.J.H. and Firth, S. and Hadad, C.M. and Wilson, P.J. and Woodward, P.M. and Zaleski, J.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 and Chisholm, MH and Clark, RJH and Firth, S and Hadad, CM and Macintosh, AM and Wilson, PJ and Woodward, PM and Zaleski, JM (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 and Chisholm, MH and Clark, RJH and Firth, S and Hadad, CM and Wilson, PJ and Woodward, PM and Zaleski, JM (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.

Caddick, S and Geoffrey, F and Cloke, N and Hitchcock, PB and Leonard, J and Lewis, AKD and McKerrecher, D and Titcomb, LR (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 and Hamza, D and Wadman, SN and 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 and Wilden, JD and Bush, HD and Wadman, SN and 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 and Dang, HS and 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 and 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 and Roberts, BP and 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 and Visser, D and Hautot, D and Watts, ID and Day, P and Ensling, J and Guetlich, P and Long, GJ and Grandjean, F (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 and Visser, D and Hautot, D and Watts, ID and Day, P and Ensling, J and Gutlich, P and Long, GJ and Grandjean, F (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 and Dinnage, CW and Parkin, IP and White, AJP and 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 and Mileham, JD and White, AJP and Williams, DJ (2002) Pentanuclear alkoxyaluminium hydrides. NEW J CHEM , 26 (7) 902 - 905. 10.1039/b201773n.

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

Caruana, DJ and 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 and Motherwell, WB and Potier, P and 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 and Green, MA and 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 and Clark, RJH and 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.

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

Christofi, AM and Garratt, PJ and Hogarth, G and Ibbett, AJ and Ng, YF and 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 and 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 and 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 and Kayaleh, NE and Smith, MA and Baker, JR and Bird, SJ and Chan, C (2002) A one-step procedure for the monoacylation of symmetrical 1,2-diols. J Org Chem , 67 (15) 5226 - 5231.

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

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

Coombes, DS and Catlow, CRA and Gale, JD and Hardy, MJ and 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 and de Leeuw, NH (2002) Co-adsorption of surfactants and water at inorganic solid surfaces. CHEM COMMUN (14) 1502 - 1503. 10.1039/b204110c.

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

Cora, F and Sankar, G and Catlow, CRA and 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. and Saadoune, I. and 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. and Sankar, G. and Catlow, C.R.A. and 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 and 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 and Wright, K and Fisler, DK and Gale, JD and 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 and 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 and Bikiaris, D and Burgio, L and Gavala, P and Clark, RJH and 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 and Winston, S and 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 and 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 and 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 and Sharp, TL and Chuca, I and Spurgin, MA and Acree, WE and Green, CE and 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.

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

Debord, J and Bollinger, JC and Abraham, MH and Merle, L and Dantoine, T (2002) Inhibition of arylesterase by organic solvents: Structure-activity relationships. Internet Journal of Chemistry , 5 (4) art - 4.

Decr au, RA and Marson, CM and 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 2125 - 2135.

Deeming, AJ and Forth, CS and Hogarth, G and Markham, D and Prince, JO and 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 and Watts, ID and Moussa, SM and Durand, P and Rosseinsky, MJ and 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 and Guo, ZX (2002) Microstructural Modelling of Dynamic Recrystallisation Using an Extended Cellular Automaton Approach. Computational Materials Science , 23 209 - 218. 10.1016/S0927-0256(01)00211-7.

Ding, R and Guo, ZX and Wilson, A (2002) Microstructural Evolution of a Ti-6Al-4V Alloy during Thermomechanical Processing. Materials Science and Engineering: A , 327 233 - 245. 10.1016/S0921-5093(01)01531-3.

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Setifi, F and Golhen, S and Ouahab, L and Turner, SS and 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 1 - 6.

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

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An open access publication. A version is also available from UCL Discovery.
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Watts, ID and Carling, SG and 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.

Watts, ID and Carling, SG and 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 1429 - 1434.

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Zhao, YH and Le, J and Abraham, MH and Hersey, A and Eddershaw, PJ and Luscombe, CN and Butina, D and Beck, G and Sherborne, B and Cooper, I and Platts, JA (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) Erratum. Journal of Pharmaceutical Sciences , 91 (2) 605 - 605.

Zissimos, AM and Abraham, MH and Barker, MC and Box, KJ and 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) 470 - 477.

Zissimos, AM and Abraham, MH and Du, CM and Valko, K and Bevan, C and Reynolds, D and Wood, J and Tam, KY (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) 2001 - 2010.

Zissimos, AM and Abraham, MH and Klamt, A and Eckert, F and Wood, J (2002) A comparison between the two general sets of linear free energy descriptors of Abraham and Klamt. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES , 42 (6) 1320 - 1331. 10.1021/ci025530o.

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Book chapter

Aliev, AE and 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

Brennan, JG and 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

Campbell, C and Heller, A and Caruana, DJ and 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 and Clark, RJH and Jacobs, D and Jensen, K and Smith, GD (2002) Analysis of three Gutenberg Bibles using Raman Microscopy. In: Raman Spectroscopy. (823 - 824). Wiley: Chichester.

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.

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

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Marson, CM (2002) Heterocyclic Chemistry. In: Meyers, RA, (ed.) Encyclopaedia of Physical Science and Technology. (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. (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. (477 - 507). IOS Press: Amsterdam.

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Patent

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Proceedings paper

Cometto-Muniz, JE and Cain, WS and Abraham, MH and 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).

Cooper, TG and 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

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

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

Mohebi, MM and Evans, JRG (2002) Approaches to combinatorial methods of discovery in ceramic science. In: (Proceedings) Materials Congress 2002, 9-11th April. Institute of Materials, London

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

Mohebi, MM and Evans, JRG (2002) Solid freeforming of functionally graded materials and combinatorial libraries. In: Journal of Tsinghua University. (pp. 298 - 303). Tsinghua University, Beijing China

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

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