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Number of items: 140.

A

Aasland, S; Einarsrud, MA; Grande, T; Grzechnik, A; McMillan, PF; (1997) The structure of ternary fluorozirconate glasses. Journal of Non-Crystalline Solids , 213-21 pp. 341-344.

Abraham, MH; (1997) Characterization of some GLC chiral stationary phases: LFER analysis. ANAL CHEM , 69 (4) pp. 613-617.

Abraham, MH; Chadha, HS; Dixon, JP; Rafols, C; Treiner, C; (1997) Hydrogen bonding. Part 41. Factors that influence the distribution of solutes between water and hexadecylpyridinium chloride micelles. J CHEM SOC PERKIN II pp. 19-24.

Abraham, MH; Chadha, HS; Leitao, RAE; Mitchell, RC; Lambert, WJ; Kaliszan, R; Nasal, A; (1997) Determination of solute lipophilicity, as log P(octanol) and log P(alkane) using poly(styrene-divinylbenzene) and immobilised artificial membrane stationary phases in reversed-phase high-performance liquid chromatography. J CHROMATOGR A , 766 pp. 35-47.

Abraham, MH; Chadha, HS; Martins, F; Mitchell, RC; Gratton, JA; Bradbury, MW; (1997) A general equation for the correlation of transport properties of drugs and other compounds. FARM VESTN , 48 pp. 236-237.

Abraham, MH; Martins, F; Mitchell, RC; (1997) Algorithms for skin permeability using hydrogen bond descriptors: the problem of steroids (Hydrogen bonding, Part 43). Journal of Pharmacy and Pharmacology , 49 pp. 858-865.

Abraham, MH; Ros s, M; Poole, CF; Poole, SK; (1997) Hydrogen bonding. 42. Characterization of reversed-phase high-performance liquid chromatographic C18 stationary phases. J PHYS ORG CHEM , 10 pp. 358-368.

Ackermann, L; Gale, JD; Catlow, CRA; (1997) Interaction of methane with a [Li](0) center on MgO(100): HF, Post-HF, and DFT cluster model studies. J PHYS CHEM B , 101 (48) pp. 10028-10034.

Akhtar, MJ; Akhtar, ZN; Dragun, JP; Catlow, CRA; (1997) Electrical conductivity and extended x-ray absorption fine structure studies of SrFe1-xNbxO3 and BaFe1-xNbxO3 systems. SOLID STATE IONICS , 104 (1-2) pp. 147-158.

Anderson, JE; Angyal, SJ; Craig, DC; (1997) Eclipsed conformations for carbon-oxygen bonds in methoxy derivatives of inositols, sugars and similar compounds. J CHEM SOC PERKIN II pp. 729-734.

Anderson, JE; Cai, J; Davies, AG; (1997) NMR study of stereoelectronic anomeric and homoanomeric effects on the axial and equatorial CH bonds in 1,3-diazacyclohexanes and 1,5-diazabicyclo[3.2.1]octanes. Journal of the Chemical Society. Perkin Transactions 2 (12) pp. 2633-2637.

Anderson, JE; Casarini, D; Ijeh, AI; Lunazzi, L; (1997) Preference for eclipsed conformations in acyclic neopentyldialkylamines and the stereodynamical consequences: an NMR and molecular mechanics investigation. J AM CHEM SOC , 119 pp. 8050-8057.

Andrews, MJI; Tabor, AB; (1997) Synthesis of an orthogonally-protected bifunctional amino acid for conformationally constrained peptides. TETRAHEDRON LETT , 38 (17) 3063 - 3066.

Apaya, RP; Bondi, M; Price, SL; (1997) The orientation of N-HúúúO=C and N-HúúúN hydrogen bonds in biological systems: how good is a point charge as a model for a hydrogen bonding atom? J COMPUT -AIDED MOL DESIGN , 11 pp. 479-490.

Arce, AJ; Machado, R; de Sanctis, Y; Capparelli, MV; Atencio, R; Manzur, J; Deeming, AJ; (1997) Synthesis, structures, isomerism, and dynamic behavior of metalated derivatives of methyl-substituted pyrroles in triruthenium clusters. Organometallics , 16 pp. 1735-1742.

al Dulaimi, JP; Clark, RJH; Humphrey, DG; (1997) Oxidative and reductive activation of tetra-n-butylammonium trans-tetrabromobis(tert)-butylisocyanide)ruthenium(III): a spectroelectrochemical study. J CHEM SOC DALTON pp. 2535-2536.

B

Badro, J; Gillet, P; McMillan, PF; Polian, A; Itié, JP; (1997) A combined XAS and XRD study of the high-pressure behaviour of GaAsO<inf>4</inf> berlinite. Europhysics Letters , 40 (5) pp. 533-538. 10.1209/epl/i1997-00500-3.

Barrett, PA; Sankar, G; Jones, RH; Catlow, CRA; Thomas, JM; (1997) Interaction of acetonitrile with cobalt-containing aluminophosphates: An X-ray absorption investigation. J PHYS CHEM B , 101 (46) 9555 - 9562.

Barrie, PJ; Austin, EJW; Barbieri, A; Clark, RJH; (1997) 15N solid-state NMR studies of platinum ammine complexes. INORG CHIM ACTA , 264 pp. 81-88.

Bell, IM; Clark, RJH; Gibbs, PJ; (1997) Raman spectroscopic library of natural and synthetic pigments (pre-~1850 AD). SPECTROCHIM ACTA , 53A pp. 2159-2179.

Bell, IM; Clark, RJH; Humphrey, DG; (1997) Vibrational and electronic spectroscopy of the octacyanodimolybdate ion, [Mo2(CN)8]4-. J CHEM SOC DALTON pp. 1225-1229.

Bell, RG; Price, GD; (1997) Silicates and Microporous Materials. In: Catlow, CRA, (ed.) Computer Modeling in Inorganic Crystallography. Academic Press: London.

Bhambri, S; Tocher, DA; (1997) Synthesis and characterisation of ruthenium(II) arene complexes containing kappa(3)- and kappa(2)-poly(pyrazolyl)borates and methanes. J CHEM SOC DALTON (18) 3367 - 3372.

Burgio, L; Ciomartan, DA; Clark, RJH; (1997) Pigment identification on medieval manuscripts, paintings and other artefacts by Raman microscopy: applications to the study of three German manuscripts. J MOL STRUCTURE , 405 pp. 1-11.

Burgio, L; Ciomartan, DA; Clark, RJH; (1997) Raman microscopy study of the pigments on three illuminated mediaeval Latin manuscripts. J RAMAN SPECTROSC , 28 pp. 79-83.

Butler, AR; Rutherford, TJ; Short, DM; Ridd, JH; (1997) Tyrosine nitration and peroxonitrile (peroxynitrite) isomerisation: 15N CIDNP NMR studies. CHEM COMMUN pp. 669-670.

Buxton, A.J.; (1997) The thermophysical properties of gases determined using an annular acoustic resonator. Doctoral thesis, University of London. Green open access
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C

Cai, J; Davison, BE; Ganellin, CR; Thaisrivongs, S; Wibley, KS; (1997) Potential HIV protease inhibitors: preparation of di-N-alkylated 2-, 6-, and 2,6-amonodeoxy-derivatives of D-glucose by direct displacement and by a novel reductive-alkylation procedure. CARBOHYDR RES , 300 pp. 109-117.

Campos, R; Beckwith-Hall, BM; Galanakis, D; Ganellin, CR; Dunn, PM; Jenkinson, DH; (1997) Bis-quinolinium cyclophanes: a novel class of potent blockers of the apamin-sensitive Ca2+-activated K+ channel. BIOORG MED CHEM LETTERS , 7 pp. 7-10.

Carmalt, CJ; Clegg, W; Cowley, AH; Lawlor, FJ; Marder, TB; Norman, NC; Rice, CR; (1997) Structural Characterisation of Two Compounds Containing B4O2 Rings. Polyhedron , 16 pp. 2325-2328.

Carmalt, CJ; Compton, NA; Errington, RJ; Fisher, GA; Moenandar, I; Norman, NC; Whitmire, KH; (1997) Homoleptic bismuth amides. Inorganic Syntheses , 31 pp. 98-101.

Carty, AJ; Hogarth, G; Enright, G; Frapper, G; (1997) Synthesis of Fe-4(CO)(8)(mu-PPh2)(2)(mu(4)-eta(1),eta(1),eta(2),eta(2)-C2Ph)(2) via coupling of acetylides at a binuclear centre: a molecule with through-the-cluster carbon-carbon bonding? CHEM COMMUN (19) 1883 - 1884.

Carty, AJ; Hogarth, G; Enright, G; Frapper, G; (1997) Synthesis of Fe4(CO)8(æ-PPh2)2(æ4-h1,h1,h2-C2Ph)2 via coupling of acetylides at a binuclear centre: a molecule with through-the-cluster carbon-carbon bonding? CHEM COMMUN pp. 1883-1884.

Cativiela, C; Garc a, JI; Gil, J; Mart nez, RM; Mayoral, JA; Salvatella, L; Urieta, JS; (1997) Solvent effects on Diels-Alder reactions. The use of aqueous mixtures of fluorinated alcohols and the study of reactions of acrylonitrile. J CHEM SOC PERKIN II pp. 653-660.

Catlow, CRA; Ackermann, L; Bell, RG; Gay, DH; Holt, S; Lewis, DW; Nygren, MA; (1997) Modelling of structure, sorption, synthesis and reactivity in catalytic systems. Journal of Molecular Catalysis A: Chemical , 115 (3) pp. 431-448. 10.1016/S1381-1169(96)00349-4.

Catlow, CRA; Bulatov, VL; Grimes, RW; (1997) Computational studies of the structures, energetics and dynamics of clusters. Presented at: Proceedings of the E-MRS '96 Spring Meeting Symposium K on Nanometric Phenomena Induced by Laser Ion and Cluster Beams, STRASBOURG, FRANCE.

Catlow, CRA; Cherry, M; Chow, KH; Cottrell, SP; Cox, SFJ; Davis, EA; Wright, KV; (1997) Modelling hydrogen in silicate materials. In: HYPERFINE INTERACTIONS. (pp. 119 - 122). BALTZER SCI PUBL BV

Clark, RJH; Cooksey, CJ; (1997) Bromoindirubins: the synthesis and properties of minor components of Tyrian purple and the composition of the colorant from Nucella lapillus. J SOC DYERS & COLOURISTS , 113 pp. 316-321.

Clark, RJH; Curri, ML; Henshaw, G; Laganara, C; (1997) Characterization of brown-black and blue pigments in glazed pottery fragments from Castel Fiorentino (Foggia, Italy) by Raman microscopy, X-ray powder diffractometry and X-ray photoelectron spectroscopy. J RAMAN SPECTROSC , 28 pp. 105-109.

Clark, RJH; Dann, JR; (1997) Photochemical reaction of ozone with chloroiodomethane and bromochloromethane in solid argon at 14 K. FTIR spectra of the intermediate, CH2ClIO, and the complexes HC(O)ClúúúHI, HC(O)ClúúúHBr, HC(O)BrúúúHCl, COBrCl, (CO)(HCl)(HI), and (CO)(HBr)(HCl). J PHYS CHEM A , 101 pp. 2074-2082.

Clark, RJH; Dann, JR; Foley, LJ; (1997) Photochemical reaction of ozone with 2-iodopropane and the four polyfluoroiodoethanes C2F5I, CF3CH2I, CF2HCF2I and CF3CFHI in solid argon at 14 K. FTIR spectra of the iodoso-intermediates (Z-IO), the iodyl-intermediates (Z-IO2), and the various complexes. J PHYS CHEM A , 101 pp. 9260-9271.

Clark, RJH; Gibbs, PJ; (1997) Identification of lead(II) sulfide and pararealgar on a 13th century manuscript by Raman microscopy. CHEM COMMUN pp. 1003-1004.

Clark, RJH; Gibbs, PJ; (1997) Non-destructive in situ study of ancient Egyptian faience by Raman microscopy. J RAMAN SPECTROSC , 28 pp. 99-103.

Clark, RJH; Gibbs, PJ; Seddon, KR; Brovenko, NM; Petrosyan, YA; (1997) Non-destructive in situ identification of cinnabar on ancient Chinese manuscripts. J RAMAN SPECTROSC , 28 pp. 91-94.

Clark, RJH; Liu, SY; Maunder, GH; Sella, A; Elsegood, MRJ; (1997) Eight-co-ordination in lanthanide pyrazolylborate chemistry: crystal structures of [LaTpMe,Me2(MeCN)(O3SCF3)]úMeCN, [NdTpMe,Me2(MeCN)2][O3SCF3] and [LaTpMe,Me2(NO3)]úMeCN [TpMe,Me = tris(3,5-dimethylpyrazolyl)hydroborate]. J CHEM SOC DALTON pp. 2241-2247.

Clary, DC; Gregory, JK; Jordan, MJT; Kauppi, E; (1997) Calculation of the photodetachment spectrum for H3O-. Journal of the Chemical Society, Faraday Transactions , 93 pp. 747-753.

Clary, DC; Orr, BJ; (1997) Optical, Electric and Magnetic Properties of Molecules: a review of the work of A.D. Buckingham. [Book]. Elsevier: Amsterdam.

Clary, DC; Palma, J; (1997) Quantum dynamics of the Walden inversion reaction Cl-+CH3Cl -> ClCH3+Cl-. J CHEM PHYS , 106 pp. 575-583.

Clegg, W; Errington, RJ; Carmalt, CJ; (1997) Benzyltrimethylammonium tetramethoxoborate. Acta Crystallographica Section C: Crystal Structure Communications , 53 (6) pp. 751-753.

Coffey, TA; Hogarth, G; (1997) Synthesis and structure of [Mo2(NR)2(h2-S2CNEt2)2(æ-S)(æ-h2-h2-S2)] (R = 2,6-Pri2C6H3): a molecular model for molybdenum trisulphide? Polyhedron , 16 pp. 165-169.

Cooksey, CJ; Garratt, PJ; Land, EJ; Pavel, S; Ramsden, CA; Riley, PA; Smit, NPM; (1997) Evidence of the indirect formation of the catecholic intermediate substrate responsible for the autoactivation kinetics of tyrosinase. Journal of Biological Chemistry , 272 pp. 26226-26235. Gold open access

Coombes, DS; Nagi, GK; Price, SL; (1997) On the lack of hydrogen bonds in the crystal structure of alloxan. CHEM PHYS LETTERS , 265 pp. 532-537.

D

Darr, JA; Poliakoff, MA; Li, WS; Blake, AJ; (1997) Hexafluoropentanedionatosilver(I) complexes stabilised by multidentate N-donor ligands: crystal structure of a charge-separated salt species soluble in supercritical carbon dioxide. 2869 - 2874.

Davies, AG; (1997) EPR spectroscopy and electron distribution. Nukleonika , 42 (2) pp. 417-424.

Davies, AG; (1997) Organotin Chemistry. [Book]. VCH: Weinheim, Germany.

Deeming, AJ; Cockerton, BR; Doherty, S; (1997) Substitution of chloride in [PtCl2(PEt3)2] by the chiral anionic ligand [Mo(CO)5(PPhH)]- to give mixed platinum-molybdenum compounds and a 31P{1H} NMR analysis of their fluxionality. X-ray crystal structure of [PtCl(PEt3)2(æ-PPhH){Mo(CO)5}] and trans-[Pt(. Polyhedron , 16 pp. 1945-1956.

Deeming, AJ; Speel, DM; (1997) Dehydrohalogenation of iodoarenes to give ruthenium clusters containing æ4-naphthyne and æ4-phenanthryne ligands. Organometallics , 16 pp. 289-291.

Deeming, AJ; Speel, DM; Stchedroff, M; (1997) Trinuclear clusters of ruthenium-containing bridging and ortho-metalated 2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (BINAP): X-ray structures of (R)-BINAP and [Ru3(æ-OH)2(CO)8{æ-(R)-BINAP}]. Organometallics , 16 pp. 6004-6009.

Deeming, AJ; Vassos, AE; (1997) Photoinduced isomerisation of the iridium(III) complex trans,mer-[IrCl2(CN)(PEt2Ph)3] to the fac and the cis,mer isomers. J CHEM SOC DALTON pp. 3519-3524.

Deeming, AJ; Whittaker, C; Arce, AJ; de Sanctis, Y; (1997) Studies of N-heterocyclic compounds with triosmium clusters: formation of the heterocyclic-linked dicluster compound [Os6(æ-H)2(æ3-C6H4N3)2(CO)18]. J ORGANOMET CHEM , 540 pp. 67-76.

Demkov, AA; Sankey, OF; Gryko, J; McMillan, PF; (1997) Theoretical predictions of expanded-volume phases of GaAs. Physical Review B - Condensed Matter and Materials Physics , 55 (11) pp. 6904-6913.

Dyson, PJ; Humphrey, DG; McGrady, JE; Suman, P; Tocher, DA; (1997) The reactivity of [2.2.2]paracyclophane towards Cr(CO)6: experimental and theoretical considerations. J CHEM SOC DALTON pp. 1601-1605.

de Miranda, MP; Clary, DC; (1997) Quantum dynamical stereochemistry of atom-diatom reactions. J CHEM PHYS , 106 pp. 4509-4521.

de Sanctis, Y; Arce, AJ; Machado, R; Capparelli, MV; Atencio, R; Deeming, AJ; Manzur, J; (1997) Synthesis of [Re2(CO)8{æ-N2(C5H4)2}], derived from the reaction of [Re2(CO)8(MeCN)2] and diazocyclopentadiene. Organometallics , 16 pp. 1520-1522.

E

Emadi, K; Pearce, FL; (1997) Role of serine esterases in the activation of rat peritoneal mast cells. INT ARCH ALLERGY IMMUNOL , 113 29 -292.

F

Frau, J; Price, SL; (1997) Possible binding orientations of á-lactams within Staphylococcus aureus PC1 á-lactamase suggest factors involved in á-lactamase resistance. THEOR CHIM ACTA , 95 pp. 151-163.

Frenz, AM; Gibbs, BF; Pearce, FL; (1997) The effect of recombinant stem cell factor on human skin and lung mast cells and basophil leukocytes. INFLAMM RES , 46 pp. 35-39.

G

Ganellin, CR; Bishop, PB; Bambal, RB; Chan, SMT; Moore, ANJ; Bourgeat, P; Rose, C; (1997) Design of protease inhibitors from structures of substrate products. The example of butabindide, an inhibitor of the cholecystokinin (CCK-8)-inactivating peptidase. Presented at: UNSPECIFIED.

Ganellin, CR; Triggle, DJ; (1997) Dictionary of Pharmacological Agents. [Book]. Chapman & Hall: London.

Ganellin, CR; Triggle, DJ; (1997) PharmaSource (CD-ROM) Dictionary of Pharmacological Agents plus the PDR Generics. Chapman & Hall, London.

Garvie, LAJ; Hubert, H; Petuskey, WT; McMillan, PF; Buseck, PR; (1997) High-Pressure, High-Temperature Syntheses in the B-C-N-O System. Journal of Solid State Chemistry , 133 (2) pp. 365-371. 10.1006/jssc.1997.7583.

George, AR; Catlow, CRA; (1997) A computational study of the role of F- ions in the octadecasil structure. ZEOLITES , 18 (1) pp. 67-70.

George, AR; Catlow, CRA; Thomas, JM; (1997) A computational investigation of the sorption of methane into zeolitic structures. MICROPOROUS MATER , 11 (3-4) pp. 97-105.

Gescheidt, G; Prinzbach, H; Davies, AG; Herges, R; (1997) From cyclobutane (four-centre/three-electron) radical cations to the Mills-Nixon effect. Acta Chemica Scandinavica , 51 (2) pp. 174-180.

Gibbs, BF; Amon, U; Pearce, FL; (1997) Spontaneous histamine release from mast cells and basophils is controlled by the cellular environment. INFLAMM RES , 46, Su S25-S26.

Gibbs, BF; Arm, JP; Gibson, K; Lee, TH; Pearce, FL; (1997) Human lung mast cells release small amounts of interleukin-4 and tumour necrosis factor-à in response to stimulation by anti-IgE and stem cell factor. EUR J PHARMACOL , 327 pp. 73-78.

Glasser, L; Catlow, CRA; (1997) Modelling phase changes in the potassium titanyl phosphate system. J MATER CHEM , 7 (12) pp. 2537-2542.

Glushove, D; Hogarth, G; Lavender, MH; (1997) Ethylene elimination upon addition of acids to the æ-ethenyl complex [Fe2(CO)4(æ-eta2-HC=CH2)(æ-PCy2)(æ-dppm)]: synthesis of halide- and carboxylate-bridged diiron carbonyl complexes [Approximate title]. J ORGANOMET CHEM , 528 pp. 3-13.

Gonz lez, AI; Clary, DC; Y ez, M; (1997) Calculations of rate constants for reactions of first and second row cations. THEOR CHEM ACC , 98 pp. 33-41.

Grate, JW; Abraham, MH; McGill, RA; (1997) Sorbent polymer materials for chemical sensors and arrays. In: Kress-Rogers, E, (ed.) Handbook of Biosensors and Electronic Noses: Medicine, Food and the Environment. (pp. 593-612). CRC Press: Boca Raton, Florida.

Gratton, JA; Abraham, MH; Bradbury, MW; Chadha, HS; (1997) Molecular factors influencing drug transfer across the blood-brain barrier. Journal of Pharmacy and Pharmacology , 49 pp. 1211-1216.

Gregory, JK; Clary, DC; (1997) Theoretical study of the cage water hexamer structure. J PHYS CHEM A , 101 pp. 6813-6819.

Gregory, JK; Clary, DC; Liu, K; Brown, MG; Saykally, RJ; (1997) The water dipole moment in water clusters. Science , 275 pp. 814-817.

Grzechnik, A; Hubert, H; Mcmillan, P; Petuskey, W; (1997) SrGeO3-SrTiO3 perovskites: high-pressure synthesis, structure, and dielectric properties. Integrated Ferroelectrics , 15 (1-4) pp. 191-198.

Grzechnik, A; McMillan, PF; (1997) In situ high pressure Raman spectra of Ba<inf>3</inf>(VO<inf>4</inf>)<inf>2</inf>. Solid State Communications , 102 (8) pp. 569-574.

Grzechnik, A; McMillan, PF; (1997) LiV<inf>x</inf>Nb<inf>1-x</inf>O3 (x ≤ 0.2) and Li<inf>2</inf>VNbO<inf>6</inf> phases prepared by high pressure and high temperature synthesis. Journal of Physics and Chemistry of Solids , 58 (7) pp. 1071-1078.

Grzechnik, A; McMillan, PF; Ouvrard, G; (1997) Olivine-spinel phase transformations in Mn<inf>2</inf>SiSe<inf>4</inf> at high pressure. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms , 133 (1-4) pp. 24-27.

Grzechnik, A; McMillan, PF; Ouvrard, G; (1997) Olivine-spinel transitions in Mn<inf>2</inf>SiSe<inf>4</inf> at high pressure. Journal of Physics and Chemistry of Solids , 58 (3) pp. 413-420.

H

Hale, KJ; Cai, J; (1997) Asymmetric total synthesis of antitumour antibiotic A83586C. CHEM COMMUN pp. 2319-2320.

Hale, KJ; Manaviazar, S; Tupprasoot, R; (1997) The synthesis and reactions of some novel pyranoid 5,6-glycals derived from D-fructose. Tetrahedron , 53 pp. 16365-16376.

Herpin, TF; Motherwell, WB; Weibel, JM; (1997) Two free radical routes for the preparation of novel difluoromethylene-linked serine-O-glycopeptide analogues. CHEM COMMUN (10) 923 - 924.

Hill, SJ; Ganellin, CR; Timmerman, H; Schwartz, JC; Shankley, NP; Young, JM; Schunack, W; (1997) International Union of Pharmacology. XIII. Classification of histamine receptors. PHARMACOL REV , 49 pp. 253-278.

Hogarth, G; Lavender, MH; Shukri, K; (1997) Diiron å-ã alkenyl complexes: crystal structures of cis-[Fe2(CO)4(æ-RCðCH2)(æ-PPh2)(æ-dppm)], (R = Ph, CH2OH), trans-[Fe2(CO)4(æ-HC=CHPh)(æ-PPh2)(æ-dppm)] and the à,á-unsaturated acyl complex trans-[Fe2(CO)4{æ-O=C-C(Ph)=CH2}(æ-PCy2)(æ-dppm)]. J ORGANOMET CHEM , 527 pp. 247-258.

Hubert, H; Garvie, LAJ; Buseck, PR; Petuskey, WT; McMillan, PF; (1997) High-Pressure, High-Temperature Syntheses in the B-C-N-O System. Journal of Solid State Chemistry , 133 (2) pp. 356-364. 10.1006/jssc.1997.7582.

J

Jeffrey, SJ; Smith, SC; Clary, DC; (1997) Calculation of the vibrational spectral density of NO2 via density correlation functions. CHEM PHYS LETTERS , 273 pp. 55-61.

Jordan, MJT; Clary, DC; (1997) Classical and approximate quantum investigations of vibrational energy transfer in S1 p-difluorobenzene. J CHEM PHYS , 106 pp. 5439-5453.

K

Kaltsoyannis, N; (1997) Theoretical study of the effects of spin-orbit coupling on the valence photoelectron spectrum of HfCl4. CHEM PHYS LETT , 274 (4) 405 - 409.

Kaltsoyannis, N; Bursten, BE; (1997) Electronic structure of f(1) lanthanide and actinide complexes .2. Non-relativistic and relativistic calculations of the ground state electronic structures and optical transition energies of [Ce(eta-C5H5)(3)], [Th(eta-C5H5)(3)] and [Pa(eta-C8H8)(2)](2). J ORGANOMET CHEM , 528 (1-2) 19 - 33.

Kepert, CJ; Kurmoo, M; Truter, MR; Day, P; (1997) Quasi-one-dimensional bis(ethylenedithio)tetrathiafulvalene charge-transfer salts with paramagnetic Group 6 anions. J CHEM SOC DALTON pp. 607-613.

Krause, PJ; Clary, DC; (1997) The vibrational predissociation of HeBr2: a wavepacket study. CHEM PHYS LETTERS , 271 pp. 171-177.

L

LeGarrec, JL; Rowe, BR; Queffelec, JL; Mitchell, JBA; Clary, DC; (1997) Temperature dependence of the rate constant for the Cl-+CH3Br reaction down to 23 K. JOURNAL OF CHEMICAL PHYSICS , 107 (3) pp. 1021-1024. 10.1063/1.474431.

Lees, G; Ganellin, CR; (1997) Modulation of GABAA receptors and inhibitory synaptic currents in cultured rat cortical neurones by the endogenous brain lipid cis-9,10-octadecenoamide (cOA). Presented at: UNSPECIFIED.

Lewis, DW; Bell, RG; Wright, PA; Catlow, CRA; Thomas, JM; (1997) Computer modelling of the structure and synthesis of microporous and mesoporous materials. Studies in Surface Science and Catalysis , 105 C pp. 2291-2298.

M

Maschmeyer, T; Oldroyd, RD; Sankar, G; Thomas, JM; Shannon, IJ; Klepetko, JA; Masters, AF; (1997) Designing a solid catalyst for the selective low-temperature oxidation of cyclohexane to cyclohexanone. ANGEW CHEM INT EDIT , 36 (15) 1639 - 1642.

McMillan, PF; (1997) High pressure synthesis of solid state materials. Materials Research Society Symposium - Proceedings , 453 pp. 141-146.

Munn, NS; Clary, DC; (1997) Subsurface effects in the dissociation of H2 on Pd(111). CHEM PHYS LETTERS , 266 pp. 437-442.

N

Nicoll, S; Matzke, H; Grimes, RW; Catlow, CRA; (1997) The behaviour of single atoms of molybdenum in urania. J NUCL MATER , 240 (3) pp. 185-195.

Nobeli, I; Yeoh, SL; Price, SL; Taylor, R; (1997) On the hydrogen bonding abilities of phenols and anisoles. Chemical Physics Letters , 280 (3-4) pp. 196-202.

O

O'Connor, CSS; Jones, NC; Price, SD; (1997) Electron-impact ionization of nitric acid. INT J MASS SPECTROM ION PROC , 163 pp. 131-139.

O'Connor, CSS; Jones, NC; Price, SD; (1997) The formation and dissociation of the dinitrogen pentoxide dication. CHEM PHYS , 214 pp. 131-141.

Oldroyd, RD; Thomas, JM; Sankar, G; (1997) Engineering an atomically well defined active site for the catalytic epoxidation of alkenes. CHEM COMMUN (21) 2025 - 2026.

P

Pagliara, A; Caron, G; Lisa, G; Fan, W; Gaillard, P; Carrupt, PA; Testa, B; (1997) Solvatochromic analysis of di-n-butyl ether/water partition coefficients as compared to other solvent systems. J CHEM SOC PERKIN II pp. 2639-2643.

Pogrebnya, SK; Echave, J; Clary, DC; (1997) Quantum theory of four-atom reactions using arrangement channel hyperspherical coordinates: formulation and application to OH + H2 <-> H2O + H. J CHEM PHYS , 107 pp. 8975-8984.

Power, EA; Thirunamachandran, T; (1997) Analysis of the causal behavior in energy transfer between atoms. Physical Review , A 56 3395 - 3408. 10.1103/PhysRevA.56.3395. Green open access
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Pratt, KFE; Williams, DE; (1997) Self diagnostic gas sensitive resistors in sour gas applications. Sensors and Actuators, B: Chemical , 45 (2) pp. 147-153.

Price, SD; (1997) Interactions of molecular doubly charged ions with atoms, molecules and photons. J CHEM SOC FARADAY T , 93 (15) 2451 - 2460.

Price, SL; (1997) Molecular crystals. In: CATLOW, CRA, (ed.) Computer Modelling in Inorganic Crystallography. (pp. 269-293). Academic Press: London.

Price, SL; (1997) Intermolecular forces - from the molecular charge distribution to the molecular packing. In: Gavezzotti, A, (ed.) Theoretical Aspects and Computer Modeling of the Molecular Solid State. (pp. 31-60). Wiley: Chichester.

Price, SL; (1997) Electrostatic forces in molecular interactions. In: Scheiner, S, (ed.) Molecular Interactions: from van der Waals to strongly bound complexes. (pp. 297-333). Wiley: Chichester.

Price, SL; Wibley, KS; (1997) Predictions of crystal packings for uracil, 6-azauracil, and allopurinol: the interplay between hydrogen bonding and close packing. J PHYS CHEM A , 101 pp. 2198-2206.

R

Redrup, AC; Foreman, JC; Hayes, NA; Pearce, FL; (1997) Fc<sub>î</sub><sub>RI-medited chloride uptake by rat mast cells: modulation by chloride transport inhibitors in relation to histamine secretion.</sub>. British Journal of Pharmacology , 122 pp. 1188-1194.

S

Sassmannshausen, J; Bochmann, ME; Rosch, J; Lilge, D; (1997) Titanium-catalysed formation of high molecular weight elastomeric polypropene: evidence for living propene polymerisation. J ORGANOMET CHEM , 548 (1) pp. 23-28.

Sayle, DC; Catlow, CRA; Gale, JD; Perrin, MA; Nortier, P; (1997) Active site configurations within the NO decomposition catalyst, Cu-ZSM-5; the role of framework aluminium. J MATER CHEM , 7 (8) pp. 1635-1639.

Sayle, DC; Catlow, CRA; Gale, JD; Perrin, MA; Nortier, P; (1997) Computer modeling of the active-site configurations within the NO decomposition catalyst Cu-ZSM-5. J PHYS CHEM A , 101 (18) pp. 3331-3337.

Sayle, DC; Catlow, CRA; Perrin, MA; (1997) NaCl clusters on MgO(001): A model system to explore interfacial crystal growth, nucleation, and grain-boundary formation. PHYS REV B , 56 (24) pp. 15952-15961.

Sayle, DC; Catlow, CRA; Perrin, MA; Nortier, P; (1997) Copper clusters in mordenite. A direct structural comparison with the NO decomposition catalyst Cu-ZSM-5. J MATER CHEM , 7 (9) pp. 1917-1923.

Schweigert, G; Callomon, JH; (1997) Der bauhini-Faunenhorizont und seine Bedeutung f�r die Korrelation zwischen tethyalem und subborealem Oberjura. (The bauhini faunal horizon and its correlation value in the Tethyan and Subboreal Late Jurassic.). STUTTGARTER BEITR NATURK SER B , 247 pp. 1-69.

Sinclair, PE; Catlow, CRA; (1997) Generation of carbenes during methanol conversion over Bronsted acidic aluminosilicates. A computational study. J PHYS CHEM B , 101 (3) pp. 295-298.

Sinclair, PE; Catlow, CRA; (1997) On the formation of titanyl (Ti=O) groups in mesoporous and microporous titanosilicate catalysts: a computational study. CHEM COMMUN (19) 1881 - 1882.

Sinclair, PE; Sankar, G; Catlow, CRA; Thomas, JM; Maschmeyer, T; (1997) Computational and EXAFS study of the nature of the Ti(IV) active sites in mesoporous titanosilicate catalysts. J PHYS CHEM B , 101 (21) 4232 - 4237.

Sorenson, JM; Gregory, JK; Clary, DC; (1997) The C6H6-(H2O)2 complex: theoretical predictions of the structure, energetics, and tunneling dynamics. J CHEM PHYS , 106 pp. 849-863.

Sugden, D; Pickering, H; Teh, MT; Garratt, PJ; (1997) Melatonin receptor pharmacology: toward subtype specificity. BIOL OF CELL , 89 pp. 531-537.

Svendsen, C; Nielsen, MJ; Mortensen, OS; Allers, SJR; Clark, RJH; (1997) A study of the 1B2 excited state geometries of the metal-metal quadruply bonded compounds Mo2X4(PMe3)4 (X = Cl, Br or I). CHEM PHYS , 215 pp. 89-96.

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Thomas, JM; Bell, RG; Wright, PA; (1997) A synoptic guide to zeolites and their catalytic properties. In: Ertl, G and Knözinger, H and Weitkamp, J, (eds.) A Handbook of Heterogenous Catalysis. VCH: Weinheim.

Torii, H; Tasumi, M; Bell, IM; Clark, RJH; (1997) Vibrational analyses of the tetrathiosquarate ion based on ab initio molecular orbital and density functional calculations: effect of the Jahn-Teller distortion in the excited electronic state on Raman intensities. CHEM PHYS , 216 pp. 67-79.

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Varsani, M; Pearce, FL; (1997) Role of phospholipase A2 in mast cell activation. INFLAMM RES , 46, Su S9-S10.

van Mourik, T; Dunning Jr, TH; (1997) Ab initio characterization of the structure and energetics of the ArHF complex. The Journal of Chemical Physics , 107 (7) pp. 2451-2462.

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Williams, DE; Ellis, K; Colville, A; Dennison, SJ; Laguillo, G; Larsen, J; (1997) Hydrodynamic modulation using vibrating electrodes: Application to electroanalysis. Journal of Electroanalytical Chemistry , 432 (1-2) pp. 159-169.

Woodley, SM; (1997) A Real Space Approach to Surface and Defect States. Doctoral thesis, University of Bath.

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Zhu, Y; Williams, DE; (1997) Scanning electrochemical microscopic observation of a precursor state to pitting corrosion of stainless steel. J ELECTROCHEM SOC , 144 L43-L45.

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