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Number of items: 265.


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.

Abraham, MH; Takács-Novák, K; Mitchell, RC; (1997) On the partition of ampholytes: application to blood-brain distribution. J Pharm Sci , 86 (3) pp. 310-315. 10.1021/js960328j.

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.

Ali, S; Aguas, MD; Hector, AL; Henshaw, G; Parkin, IP; (1997) Solid state metathesis routes to metal nitrides ; use of strontium and barium nitrides as reagents and dilution effects. Polyhedron , 16 (20) pp. 3635-3640.

Aliev, AE; Harris, KDM; (1997) Dynamic properties of cyclohexane guest molecules constrained within the zeolite H-ZSM-5 host structure: A wide-line solid state H-2 NMR investigation. J PHYS CHEM A , 101 (25) 4541 - 4547.

Allen, GC; Carmalt, CJ; Cowley, AH; Hector, AL; Kamepalli, S; Lawson, YG; Norman, NC; (1997) Preparation and characterization of a material of composition BiP (bismuth phosphide) and other intergroup 15 element phases. CHEM MATER , 9 (6) 1385 - 1392.

Anderson, JC; Namli, H; Roberts, CA; (1997) Investigations into ambient temperature biaryl coupling reactions. TETRAHEDRON , 53 (44) 15123 - 15134.

Anderson, JC; Smith, SC; Swarbrick, ME; (1997) Diastereoselective acyclic aza-[2,3] Wittig sigmatropic rearrangements. J CHEM SOC PERK T 1 (10) 1517 - 1521.

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.

Arduengo, AJ; Carmalt, CJ; Clyburne, JAC; Cowley, AH; Pyati, R; (1997) Nature of the bonding in a carbene-phosphinidene: A main group analogue of a Fischer carbene complex? Isolation and characterisation of a bis(borane) adduct. CHEM COMMUN (10) 981 - 982.

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.


Badro, J; Gillet, P; McMillan, PF; Polian, A; Itié, JP; (1997) A combined XAS and XRD study of the high-pressure behaviour of GaAsO4 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.

Bartlett, PN; Booth, S; Caruana, DJ; Kilburn, JD; Santamaria, C; (1997) Modification of glucose oxidase by the covalent attachment of a tetrathiafulvalene derivative. ANAL CHEM , 69 (4) 734 - 742.

Baxter, I; Darr, JA; Drake, SR; Hursthouse, MB; Malik, KMA; Mingos, DMP; (1997) Triorganosiloxy and tetraphenyldisiloxydiolate complexes of the heavier alkaline-earth metals. Crystal structures of [Sr-3(tmhd)(3)(OSiPh3)(3)]center dot 0.5C(6)H(5)Me (tmhd = 2,2,6,6-tetramethylheptane-3,5-dionate) and [Sr-2{O(SiPh2O)(2)}(3)(tetraglyme)(2)]center dot 0.5C(6)H(5)Me [tetraglyme = CH3O(CH2CH2O)(4)CH3]. 2875 - 2885.

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.

Birkenheuer, U; Cora, F; Pisani, C; Scorza, E; Perego, G; (1997) Embedded-cluster study of core-level binding energies of magnesium and alkali impurities at the surface of MgO. Surface Science , 373 (2-3) pp. 393-408.

Bonfand, E; Motherwell, WB; Pennell, AMK; Uddin, MK; Ujjainwalla, F; (1997) A novel route to 4-aryl-5,6-dihydro-1,2-oxathiin-2,2-dioxides and related heterocyclic systems. HETEROCYCLES , 46 523 - 534.

Bromidge, SM; Duckworth, M; Forbes, IT; Ham, P; King, FD; Thewlis, KM; Blaney, FE; (1997) 6-Chloro-5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]-5-pyridyl]carbamoyl]- indoline (SB-242084): the first selective and brain penetrant 5-HT2C receptor antagonist. J Med Chem , 40 (22) pp. 3494-3496. 10.1021/jm970424c.

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


Caddick, S; Delisser, VM; (1997) Stereoselective synthesis of a functionalised bicyclic core of neocarzinostatin and kedarcidin chromophores. TETRAHEDRON LETT , 38 (13) 2355 - 2358.

Caddick, S; Khan, S; Smith, NJ; Barr, DM; Delisser, VM; (1997) Synthesis of a dihydroxylated dienediyne analogue related to neocarzinostatin chromophore. TETRAHEDRON LETT , 38 (28) 5035 - 5036.

Caddick, S; Shanmugathasan, S; Brasseur, D; Delisser, VM; (1997) Asymmetric dihydroxylation of homoallylic enynols. TETRAHEDRON LETT , 38 (32) 5735 - 5736.

Caddick, S; Shering, CL; Wadman, SN; (1997) Application of a radical catalysed isomerisation reaction to the synthesis of fused [1,2-a]indoles. TETRAHEDRON LETT , 38 (35) 6249 - 6250.

Caddick, S; Shering, CL; Wadman, SN; (1997) Synthesis of p-tolylsulfonyl-substituted dienes via radical cyclization of diynes. CHEM COMMUN (2) 171 - 172.

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) Isolation and structural characterization of novel compounds containing B4O2 rings. POLYHEDRON , 16 (13) 2325 - 2328.

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.

Carmalt, CJ; Cowley, AH; Culp, RD; Jones, RA; Kamepalli, S; Norman, NC; (1997) Synthesis and structures of intramolecularly base-coordinated group 15 aryl halides. INORG CHEM , 36 (13) 2770 - 2776.

Carmalt, CJ; Cowley, AH; Culp, RD; Jones, RA; Sun, YM; Fitts, B; Whaley, S; (1997) Monomeric titanium(IV) azides as a new route to titanium nitride. INORG CHEM , 36 (14) 3108 - 3112.

Carmalt, CJ; Lomeli, V; McBurnett, BG; Cowley, AH; (1997) Cyclic phosphenium and arsenium cations with 6 pi electrons and related systems. CHEM COMMUN (21) 2095 - 2096.

Carmalt, CJ; Walsh, D; Cowley, AH; Norman, NC; (1997) Cationic complexes of antimony(III) and bismuth(III) stabilized by intra- or intermolecular coordination. ORGANOMETALLICS , 16 (16) 3597 - 3600.

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.

Caruana, DJ; Bannister, JV; (1997) Surface properties of fractured and polished platinum microelectrodes. J ELECTROANAL CHEM , 424 (1-2) 197 - 205.

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; Cora, F; Gay, DH; Nygren, MA; Pereira, JC; (1997) Computer modelling as a technique in solid state chemistry - Introductory lecture. FARADAY DISCUSS , 106 (106) 1 - 40.

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. In: JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL. (pp. 431 - 448). ELSEVIER SCIENCE BV

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

Cernik, RJ; Clegg, W; Catlow, CRA; BushnellWye, G; Flaherty, JV; Greaves, GN; Burrows, I; (1997) A new high-flux chemical and materials crystallography station at the SRS Daresbury .1. Design, construction and test results. J SYNCHROTRON RADIAT , 4 pp. 279-286.

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; Curri, ML; Laganara, C; (1997) Raman microscopy: the identificaton of lapis lazuli on medieval pottery fragments from the south of Italy. SPECTROCHIM ACTA , 53A pp. 597-603.

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 [LaTp(2)(Me,Me)(MeCN)(O3SCF3)]center dot MeCN,[NdTp(2)(Me,Me)(MeCN)(2)][O3SCF3] and [LaTp(2)(Me,Me)(NO3)]center dot MeCN[Tp(Me,Me) equals tris(3,5-dimethylpyrazolyl)hydroborate]. J CHEM SOC DALTON (13) 2241 - 2247.

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.

Clary, DC; Wang, L; (1997) Influence of surface defects on the adsorption of HCl on ice. Journal of the Chemical Society - Faraday Transactions , 93 (16) pp. 2763-2767.

Clegg, W; Errington, RJ; Carmalt, CJ; (1997) Benzyltrimethylammonium tetramethoxoborate. ACTA CRYSTALLOGR C , 53 751 - 753.

Coffey, TA; Hogarth, G; (1997) Synthesis and structure of [Mo-2(NR)(2)(eta(2)-S(2)CNEt(2))(2)(mu-S) (mu-eta(2)-eta(2)-S-2)](R=2,6-Pri2C6H3): A molecular model for molybdenum trisulphide? POLYHEDRON , 16 (1) 165 - 169.

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.

Cora, F; Catlow, CRA; (1997) Supported oxide overlayers: A link between macroscopic and microscopic properties. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL , 119 (1-3) 57 - 67.

Cora, F; Catlow, CRA; (1997) Quantum-mechanical investigations of transition metal oxides. In: Winkler, B, (ed.) How can ab initio calculations be an effective tool for the study of mineral properties. Christian-Albrechts-Universitat, Kiel

Cora, F; Patel, A; Harrison, NM; Roetti, C; Catlow, CRA; (1997) An ab initio Hartree-Fock study of alpha-MoO3. J MATER CHEM , 7 (6) 959 - 967.

Cora, F; Stachiotti, MG; Catlow, CRA; Rodriguez, CO; (1997) Transition metal oxide chemistry: Electronic structure study of WO3, ReO3, and NaWO3. J PHYS CHEM B , 101 (20) 3945 - 3952.


Daniel, I; Gillet, P; McMillan, PF; Wolf, G; Verhelst, MA; (1997) High-pressure behavior of anorthite: Compression and amorphization. Journal of Geophysical Research B: Solid Earth , 102 (B5) pp. 10313-10325.

Darr, JA; Drake, SR; Hursthouse, MB; Malik, KMA; Miller, SAS; Mingos, DMP; (1997) Monomeric Group 2 metal beta-diketonates stabilised by protonated amine ligands as tight cation-anion pairs; Crystal structure of [Htmen](2)[Sr(tfpd)(4)] (tfpd equals 1,1,1-trifluoropentane-2,4-dionate, tmen equals N,N,N',N'-tetramethylethane-1,2-diamine). 945 - 950.

Darr, JA; Drake, SR; Otway, DJ; Miller, SAS; Mingos, DMP; Baxter, I; Hursthouse, MB; (1997) Group 2 beta-diketonate complexes stabilized by O and N donor ligands; Crystal structure of [Ca(PhCOCHCOPh)(2)(pmdeta)] (pmdeta equals N,N,N',N' N''-pentamethyldiethylenetriamine). 2581 - 2588.

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.

Davies, AT; Sankar, G; Catlow, CRA; Clark, SM; (1997) Following the crystallization of microporous solids using EDXRD techniques. J PHYS CHEM B , 101 (48) 10115 - 10120.

Decken, A; Carmalt, CJ; Clyburne, JAC; Cowley, AH; (1997) Bonding of phosphinidene or arsenidene fragments to a fluorenylidene. Interrelationships between phosphaalkenes or arsaalkenes and donor-acceptor complexes. INORG CHEM , 36 (17) 3741 - 3744.

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.

Delogu, F; Demontis, P; Suffritti, GB; Tilocca, A; (1997) Molecular dynamics studies of chemical processes in zeolites. NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA D-CONDENSED MATTER ATOMIC MOLECULAR AND CHEMICAL PHYSICS FLUIDS PLASMAS BIOPHYSICS , 19 (11) 1665 - 1671.

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.

Dusastre, V; Omar, B; Parkin, IP; Shaw, GA; (1997) Convenient, room-temperature, amine-assisted routes to metal sulfides, selenides and tellurides. Journal of the Chemical Society - Dalton Transactions (19) pp. 3505-3508.

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.

daMata, MLEN; Motherwell, WB; Ujjainwalla, F; (1997) Observations on the nature of the tethering chain in the synthesis of biaryls and heterobiaryls via intramolecular free radical ipso substitution reactions. TETRAHEDRON LETT , 38 (1) 141 - 144.

daMata, MLEN; Motherwell, WB; Ujjainwalla, F; (1997) Steric and electronic effects in the synthesis of biaryls and their heterocyclic congeners using intramolecular free radical [1,5] ipso substitution reactions. TETRAHEDRON LETT , 38 (1) 137 - 140.

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

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Parkin, IP; Shaw, GA; (1997) Convenient, low temperature, liquid ammonia routes to metal chalcogenides. Presented at: UNSPECIFIED.

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Sastre, G; Lewis, DW; Catlow, CRA; (1997) Mechanisms of silicon incorporation in aluminophosphate molecular sieves. In: JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL. (pp. 349 - 356). ELSEVIER SCIENCE BV

Sastre, G; Lewis, DW; Catlow, CRA; (1997) Modeling of silicon substitution in SAPO-5 and SAPO-34 molecular sieves. J PHYS CHEM B , 101 (27) 5249 - 5262.

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.

Shannon, IJ; Maschmeyer, T; Sankar, G; Thomas, JM; Oldroyd, RD; Sheehy, M; Madill, D; (1997) A new cell for the collection of combined EXAFS/XRD data in situ during solid/liquid catalytic reactions. CATAL LETT , 44 (1-2) 23 - 27.

Shemilt, JE; Williams, H; Edirisinghe, MJ; Evans, JRG; Ralph, B; (1997) Fracture toughness of doped ceria ceramics. Scripta Materialia , 36 pp. 929-934.

Shephard, DS; Maschmeyer, T; Johnson, BFG; Thomas, JM; Sankar, G; Ozkaya, D; Zhou, WZ; (1997) Bimetallic nanoparticle catalysts anchored inside mesoporous silica. ANGEW CHEM INT EDIT , 36 (20) 2242 - 2245.

Shering, CL; Caddick, S; Wadman, SN; (1997) Synthesis of 4-(methyl)phenylsulfonyl-substituted dienes via radical cyclization of diynes. ABSTR PAP AM CHEM S , 213 641 - ORGN.

Silverman, JS; Cowley, AH; Carmalt, CJ; McBurnett, BG; (1997) The synthesis of group 13 azides and amides. ABSTR PAP AM CHEM S , 214 360 - INOR.

Sinclair, PE; Catlow, CRA; (1997) Density functional theory calculations of adsorption and reactivity of methanol at alumino-silicate Bronsted acid centres. J CHEM SOC FARADAY T , 93 (2) pp. 333-345.

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; Catlow, CRA; Sankar, G; Thomas, JM; Maschmeyer, T; (1997) A computational study of the nature of Ti(IV) active sites in mesoporous titanosilicate catalysts. ABSTR PAP AM CHEM S , 213 65 - COMP.

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.

Song, JH; Evans, JRG; (1997) On the machinability of ceramic compacts. Journal of the European Ceramic Society , 17 pp. 1665-1673.

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.

Stachiotti, MG; Cora, F; Catlow, CRA; Rodriguez, CO; (1997) First-principles investigation of ReO3 and related oxides. PHYS REV B , 55 (12) 7508 - 7514.

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.


Takada, A; Catlow, CRA; Price, GD; Hayward, CL; (1997) Periodic ab initio Hartree-Fock study of trigonal and orthorhombic phases of boric oxides. PHYS CHEM MINER , 24 (6) 423 - 431.

Teng, WD; Edirisinghe, MJ; Evans, JRG; (1997) Optimization of dispersion and viscosity of a ceramic jet printing ink. Journal of the American Ceramic Society , 80 pp. 486-494.

Teng, WD; Huneiti, ZA; Machowski, W; Evans, JRG; Edirisinghe, MJ; Balachandran, W; (1997) Towards particle-by-particle deposition of ceramics using electrostatic atomization. Journal of Materials Science Letters , 16 pp. 1017-1019.

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.

Truppe, M; Howorka, S; Schroll, G; Lechleitner, S; Resch, S; Kuen, B; Lubitz, W; (1997) Biotechnological applications of recombinant S-layer proteins rSbsA and rSbsB from B. stearothermophilus PV72. FEMS MICROBIOL REV , 20 (1-2) pp. 88-98.


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.


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.

Willock, DJ; Lewis, DW; Catlow, CRA; Hutchings, GJ; Thomas, JM; (1997) Designing templates for the synthesis of microporous solids using de novo molecular design methods. In: JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL. (pp. 415 - 424). ELSEVIER SCIENCE BV

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


Xiang, QF; Evans, JRG; Edirisinghe, MJ; Blazdell, PF; (1997) Solid freeforming of ceramics using a drop on demand jet printer. Proceedings of the Institute of Mechanical Engineers/ Journal of Engineering Manufacture , 211B pp. 211-214.


Yamazaki, S; Deeming, AJ; Speel, DM; Hibbs, DE; Hursthouse, MB; Malik, KMA; (1997) Rings and linear polymers formed by addition of silver perchlorate to trans-[Pt(C≡CR)2(PMe2Ph)2] (R = But, H). Chemical Communications (2) pp. 177-178.


Zhang, T; Evans, JRG; Bevis, MJ; (1997) Analysis of open-ended injection moulding. Advances in Polymer Technology , 16 pp. 105-115.

Zhang, T; Evans, JRG; Bevis, MJ; (1997) The control of fibre orientation in injection moulded ceramic composites. Composites Pt. A , 28 pp. 339-346.

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.

Zhukovskii, YF; Sokol, AA; Kotomin, EA; Catlow, CRA; Nieminen, RM; (1997) Semi-empirical supercell calculations for free- and bound-hole polarons in alpha-Al2O3 crystal. J PHYS-CONDENS MAT , 9 (17) 3559 - 3573.

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