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Number of items: 382.


Abraham, MH; Abraham, RJ; Byrne, J; Griffiths, L; (2006) NMR method for the determination of solute hydrogen bond acidity. Journal of Organic Chemistry , 71 pp. 3389-3394. 10.1021/jo052631n.

Abraham, MH; Dearden, JC; Bresnen, GM; (2006) Hydrogen bonding, steric effects and thermodynamics of partitioning. Journal of Physical Organic Chemistry , 19 pp. 242-248. 10.1002/poc.1027.

Abraham, MH; Ibrahim, A; (2006) Gas to olive oil partition coefficients: a linear free energy analysis. Journal of Chemical Information and Modeling , 46 pp. 1735-1741. 10.1021/ci060047p.

Abraham, MH; Ibrahim, A; Acree, JWE; (2006) Air to brain, blood to brain and plasma to brain distribution of volatile organic compounds: linear free energy analysis. European Journal of Medicinal Chemistry , 41 pp. 494-502. 10.1016/j.ejmech.2006.01.004.

Abraham, MH; Ibrahim, A; Acree, JWE; (2006) Air to muscle and blood/plasma to muscle distribution of volatile organic compounds and drugs: linear free energy analysis. Chemical Research in Toxicology , 19 pp. 801-808. 10.1021/tx050337k.

Abraham, MH; Ibrahim, A; Zhao, Y; Acree Jr, WE; (2006) A database for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. Journal of Pharmaceutical Sciences , 95 (10) pp. 2091-2100. 10.1002/jps.20595.

Abrahamsson, M; Hammarstrom, L; Tocher, DA; Nag, S; Datta, D; (2006) Modulation of the lowest metal-to-ligand charge-transfer state in [Ru(bpy)(2)(N-N)](2+) systems by changing the N-N from hydrazone to azine: Photophysical consequences. INORG CHEM , 45 (23) 9580 - 9586. 10.1021/ic061116k.

Agger, JR; Shoaee, M; Mistry, M; Slater, B; (2006) Crystal growth of analcime studied by AFM and atomistic simulation. In: JOURNAL OF CRYSTAL GROWTH. (pp. 78 - 82). ELSEVIER SCIENCE BV

Akhtar, MJ; Catlow, CRA; Slater, B; Walker, AM; Woodley, SM; (2006) Bulk and surface simulation studies of La1-xCaxMnO3. CHEM MATER , 18 (6) 1552 - 1560. 10.1021/cm052260r.

Aliev, AE; Hilton, ST; Motherwell, WB; Selwood, DL; (2006) A concise approach to the epidithiodiketopiperazine (ETP) core. TETRAHEDRON LETT , 47 (14) 2387 - 2390. 10.1016/j.tetlet.2006.01.156.

Aliev, AE; Law, RV; (2006) Solid State NMR Spectroscopy. In: Webb, GA, (ed.) Nuclear Magnetic Resonance, volume 35. (pp. 234-312). The Royal Society of Chemistry

Anastasi, C; Crowe, MA; Powner, MW; Sutherland, JD; (2006) Direct assembly of nucleoside precursors from two- and three-carbon units. Angew Chem Int Ed Engl , 45 (37) pp. 6176-6179. 10.1002/anie.200601267.

Anderson, JC; Chapman, HA; (2006) Aluminum amalgam for the reduction of sensitive beta-nitroamines to 1,2-diamines. SYNTHESIS-STUTTGART (19) 3309 - 3315. 10.1055/s-2006-950229.

Ashraf, S; Blackman, CS; Hyett, G; Parkin, IP; (2006) Aerosol assisted chemical vapour deposition of MoO3 and MoO2 thin films on glass from molybdenum polyoxometallate precursors; thermophoresis and gas phase nanoparticle formation. J MATER CHEM , 16 (35) 3575 - 3582. 10.1039/b607335b.

Avent, AG; Crimmin, MR; Hill, MS; Hitchcock, PB; (2006) Reactivity of [HC{(C(Me)N(Dipp))}(2)-Ca{N(SiMe3)(2)}(THF)] (Dipp = (C6H3Pr2)-Pr-i-2,6) with C-H acids: Synthesis of heteroleptic calcium eta(5)-organometallics. J ORGANOMET CHEM , 691 (6) 1242 - 1250. 10.1016/j.jorganchem.2005.11.065.


Barducci, A; Chelli, R; Procacci, P; Schettino, V; Gervasio, FL; Parrinello, M; (2006) Metadynamics simulation of prion protein: beta-structure stability and the early stages of misfolding. J Am Chem Soc , 128 (8) pp. 2705-2710. 10.1021/ja057076l.

Barnett, SA; Broder, CK; Shankland, K; David, WIF; Ibberson, RM; Tocher, DA; (2006) Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene. ACTA CRYSTALLOGR B , 62 287 - 295. 10.1107/S0108768105042102.

Barnett, SA; Hulme, AT; Tocher, DA; (2006) 5-fluorouracil and thymine form a crystalline solid solution. ACTA CRYSTALLOGR C , 62 O412 - O415. 10.1107/S0108270106019688.

Barnett, SA; Pradon, J; Lewis, TC; Tocher, DA; (2006) 1-Chloro-3,4-dinitrobenzene-1,4-dioxane (1/1). ACTA CRYSTALLOGR E , 62 O1662 - O1663. 10.1107/S1600536806011226. Gold open access

Barnett, SA; Tocher, DA; Vickers, M; (2006) The solvates of o-acetamidobenzamide. CRYSTENGCOMM , 8 (4) 313 - 319. 10.1039/b600288a.

Barrett, PA; Sankar, G; Stephenson, R; Catlow, CRA; Thomas, JM; Jones, RH; Teat, SJ; (2006) A new addition to the Phillipsite family of molecular sieves: A divalent metal-ion-framework substituted microporous aluminophosphate (DAF-8). SOLID STATE SCI , 8 (3-4) 337 - 341. 10.1016/j.solidstatesciences.2006.02.009.

Battaglia, G; Ryan, AJ; (2006) Effect of amphiphile size on the transformation from a lyotropic gel to a vesicular dispersion. MACROMOLECULES , 39 (2) pp. 798-805. 10.1021/ma052108a.

Battaglia, G; Ryan, AJ; (2006) Neuron-like tubular membranes made of diblock copolymer amphiphiles. Angew Chem Int Ed Engl , 45 (13) pp. 2052-2056. 10.1002/anie.200503334.

Battaglia, G; Ryan, AJ; (2006) Pathways of polymeric vesicle formation. J Phys Chem B , 110 (21) pp. 10272-10279. 10.1021/jp060728n.

Battaglia, G; Ryan, AJ; Tomas, S; (2006) Polymeric vesicle permeability: a facile chemical assay. Langmuir , 22 (11) pp. 4910-4913. 10.1021/la060354p.

Beale, AM; Grandjean, D; Kornatowski, J; Glatzel, P; de Groot, FMF; Weckhuysen, BM; (2006) Unusual Coordination Behavior of Crin Microporous Aluminophosphates. The Journal of Physical Chemistry B , 110 (2) pp. 716-722. 10.1021/jp0531006.

Beale, AM; Sankar, G; (2006) Understanding the crystallization of nanosized cobalt aluminate spinel from ion-exchanged zeolites using combined in situ QEXAFS/XRD. CHEM MATER , 18 (2) 263 - 272. 10.1021/cm050797z.

Beale, AM; van der Eerden, AM; Jacques, SD; Leynaud, O; O'Brien, MG; Meneau, F; Nikitenko, S; (2006) A combined SAXS/WAXS/XAFS setup capable of observing concurrent changes across the nano-to-micrometer size range in inorganic solid crystallization processes. J Am Chem Soc , 128 (38) pp. 12386-12387. 10.1021/ja062580r.

Beale, AM; van der Eerden, AMJ; Grandjean, D; Petukhov, AV; Smith, AD; Weckhuysen, BM; (2006) Monitoring the coordination of aluminium during microporous oxide crystallisation by in situ soft X-ray absorption spectroscopy. Chemical Communications (42) p. 4410. 10.1039/b610080e.

Berlier, G; Meneau, F; Sankar, G; Catlow, CRA; Thomas, JM; Spliethoff, B; Schuth, F; (2006) Synthesis and characterisation of small ZnS particles. RES CHEM INTERMEDIAT , 32 (7) 683 - 693.

Bernard, JM; Quirico, E; Brissaud, O; Montagnac, G; Reynard, B; McMillan, P; Coll, P; (2006) Reflectance spectra and chemical structure of Titan's tholins: Application to the analysis of Cassini-Huygens observations. ICARUS , 185 (1) 301 - 307. 10.1016/j.icarus.2006.06.004.

Bikondoa, O; Pang, CL; Ithnin, R; Muryn, CA; Onishi, H; Thornton, G; (2006) Direct visualization of defect-mediated dissociation of water on TiO2(110). NAT MATER , 5 (3) 189 - 192. 10.1038/nmat1592.

Binions, R; Carmalt, CJ; Parkin, IP; (2006) Antimony oxide thin films from the atmospheric pressure chemical vapour deposition reaction of antimony pentachloride and ethyl acetate. POLYHEDRON , 25 (15) 3032 - 3038. 10.1016/j.poly.2006.05.006.

Binions, R.; (2006) Chemical vapour deposition of metal oxides and phosphides. Doctoral thesis, University of London. Green open access

Blanchard, M; Wright, K; Catlow, CRA; (2006) Arsenic incorporation in FeS2 pyrite. Presented at: 16th Annual V M Goldschmidt Conference, Melbourne, AUSTRALIA.

Boldrin, P; Chaudhry, AA; Khalid, F; Darr, JA; Rehman, IU; (2006) Instant nano-hydroxyapatite: a continuous and rapid hydrothermal synthesis. Chemical Communications , 21 pp. 2286-2288. 10.1039/b518102j.

Bonville, P; Dupuis, V; Vincent, E; Lippens, PE; Wills, AS; (2006) Fe-57 Mossbauer spectra and magnetic data from the kagome antiferromagnet H3O-jarosite. HYPERFINE INTERACT , 168 (1-3) pp. 1085-1089. 10.1007/s10751-006-9441-z.

Bonville, P; Dupuis, V; Vincent, E; Lippens, PE; Wills, AS; (2006) <sup>57</sup>Fe Mossbauer spectra and magnetic data in the kagome antiferromagnet H3O-jarosite. Hyperfine Interactions , 168 1085-.

Boscher, N.D.; (2006) Atmospheric pressure chemical vapour deposition of transition metal selenide thin films. Doctoral thesis, University of London. Green open access

Boscher, ND; Carmalt, CJ; Palgrave, RG; Gil-Tomas, JJ; Parkin, IP; (2006) Atmospheric pressure CVD of molybdenum diselenide films on glass. CHEM VAPOR DEPOS , 12 (11) 692 - 698. 10.1002/cvde.200606502.

Boscher, ND; Carmalt, CJ; Parkin, IP; (2006) Atmospheric pressure CVD of TiSe2 thin films on glass. CHEM VAPOR DEPOS , 12 (1) 54 - 58. 10.1002/cvde.200506423.

Boscher, ND; Carmalt, CJ; Parkin, IP; (2006) Atmospheric pressure chemical vapor deposition of WSe2 thin films on glass - highly hydrophobic sticky surfaces. J MATER CHEM , 16 (1) 122 - 127. 10.1039/b514440j.

Boscher, ND; Carmalt, CJ; Parkin, IP; (2006) Atmospheric pressure chemical vapour deposition of NbSe2 thin films on glass. EUR J INORG CHEM (6) 1255 - 1259. 10.1002/ejic.200500857.

Boulet, P; Greenwell, HC; Stackhouse, S; Coveney, PV; (2006) Recent advances in understanding the structure and reactivity of clays using electronic structure calculations. J MOL STRUC-THEOCHEM , 762 (1-3) 33 - 48. 10.1016/j.theochem.2005.10.028.

Bowker, M; Stone, P; Smith, R; Fourre, E; Ishii, M; de Leeuw, NH; (2006) The surface structure of BaO on Pt(111): (2x2)-reconstructed BaO(111). SURF SCI , 600 (10) 1973 - 1981. 10.1016/j.susc.2006.02.041.

Bridges, CA; Hansen, T; Wills, AS; Luke, GM; Greedan, JE; (2006) Frustrated magnetism and the effects of titanium substitution in the mixed-valence oxide BaV10-xTixO15. PHYS REV B , 74 (2) , Article 024426. 10.1103/PhysRevB.74.024426.

Brown, WA; Viti, S; Wolff, AJ; Bolina, AS; (2006) Laboratory investigations of the role of the grain surface in astrochemical models. FARADAY DISCUSSIONS , 133 113 - 124. 10.1039/b516770a.

Bull, CL; Kawashima, T; McMillan, PF; Machon, D; Shebanova, O; Dalsenberger, D; Soignard, E; (2006) Crystal structure and high-pressure properties of gamma-Mo2N determined by neutron powder diffraction and X-ray diffraction. J SOLID STATE CHEM , 179 (6) pp. 1762-1767. 10.1016/j.jssc.2006.03.011.

Burnside, P; Price, SD; (2006) Electron transfer and bond-forming reactions following collisions of SF2+ with Ar. International Journal of Mass Spectrometry , 249-25 pp. 279-288. 10.1016/j.ijms.2005.12.015.

Bussi, G; Gervasio, FL; Laio, A; Parrinello, M; (2006) Free-energy landscape for beta hairpin folding from combined parallel tempering and metadynamics. J Am Chem Soc , 128 (41) pp. 13435-13441. 10.1021/ja062463w.


C L Pang, AS; H Onishi, QC; Thornton, G; (2006) Non-contact atomic force microscopy imaging of water dissociation products on TiO2(110). Physical Review B , 74 (7) 073411-. 10.1103/PhysRevB.74.073411.

Caddick, S; (2006) Wiki and other ways to share learning online. NATURE , 442 (7104) 744 - 744. 10.1038/442744c.

Caddick, S; Muskett, FW; Stoneman, RG; Woolfson, DN; (2006) Synthetic ligands for apo-neocarzinostatin. J AM CHEM SOC , 128 (13) 4204 - 4205. 10.1021/ja058419i.

Cao, EH; Motherwell, WB; Gavriilidis, A; (2006) Single and multiphase catalytic oxidation of benzyl alcohol by tetrapropylammonium perruthenate in a mobile microreactor system. CHEM ENG TECHNOL , 29 (11) 1372 - 1375. 10.1002/ceat.200600107.

Cardell, D; Hogarth, G; Faulkner, S; (2006) A dithiocarbamate-stabilized copper(I) cube. INORG CHIM ACTA , 359 (4) 1321 - 1324. 10.1016/j.ica.2005.08.034.

Carmalt, CJ; King, SJ; (2006) Gallium(III) and indium(III) alkoxides and aryloxides. COORDIN CHEM REV , 250 (5-6) 682 - 709. 10.1016/j.ccr.2005.05.028.

Carmalt, CJ; Peters, ES; King, SJ; Mileham, JD; Tocher, DA; (2006) Moelcular Desing of Precursors for the CVD of Group 13 Chalcogenides. ACS symposium Series 917 Modern Aspects of Main Group Chemistry, Ed. Lattman, E., Kemp,R.A. , 917 pp. 376-389.

Carmalt, CJ; Peters, ES; King, SJ; Mileham, JD; Tocher, DA; (2006) Molecular design of precursors for the chemical vapor deposition of group 13 chalcogenides. In: Lattman, M and Kemp, RA, (eds.) MODERN ASPECTS OF MAIN GROUP CHEMISTRY. (pp. 376 - 389). AMER CHEMICAL SOC

Catlow, R; Woodley, SM; (2006) High performance computing in materials chemistry. Journal of Materials Chemistry , 16 (20) p. 1883. 10.1039/b605959g.

Cavigliasso, G; Kaltsoyannis, N; (2006) Metal-metal bonding in molecular actinide compounds: electronic structure of [M2X8](2-) (M = U, Np, Pu; X = Cl, Br, I) complexes and comparison with d-block analogues. DALTON T (46) 5476 - 5483. 10.1039/b613446g.

Cavigliasso, G; Kaltsoyannis, N; (2006) On the paucity of molecular actinide complexes with unsupported metal-metal bonds: A comparative investigation of the electronic structure and metal-metal bonding in U2X6 (X = Cl, F, OH, NH2, CH3) complexes and d-block analogues. INORG CHEM , 45 (17) 6828 - 6839. 10.1021/ic060777e.

Cavigliasso, G.; Kaltsoyannis, N.; (2006) On the paucity of molecular actinide complexes with unsupported metal-metal bonds: a comparative investigation of the electronic structure and metal-metal bonding in U2X6 (X = Cl, F, OH, NH2, CH3) complexes and d-Block analogues. Inorganic Chemistry , 45 (17) pp. 6828-6839. 10.1021/ic060777e.

Chalise, PR; Perni, S; Shama, G; Novac, BM; Smith, IR; Kong, MG; (2006) Interaction of sub-microsecond pulsed electric field with bacterial cells. In: Proceedings of the 27th International Power Modulator Symposium and 2006 High Voltage Workshops. (pp. 562 - 565). IEEE

Chalise, PR; Perni, S; Shama, G; Novac, BM; Smith, IR; Kong, MG; (2006) Lethality mechanisms in Escherichia coli induced by intense sub-microsecond electrical pulses. APPL PHYS LETT , 89 (15) , Article 153902. 10.1063/1.2361271.

Chaplin, T; D, C; R, J; H, M; A, P; S, ; (2006) Raman spectroscopic analysis of selected astronomical and cartographic folios from the early 13th century Islamic <i>'Book of Curiosities of the Sciences and Marvels for the Eyes'.</i>. Journal of Raman Spectroscopy , 37 (8) pp. 865-877. 10.1002/jrs.1536.

Chaplin, TD; Clark, RJH; Scott, DA; (2006) Study by Raman microscopy of nine variants of the green-blue pigment verdigris. Journal of Raman Spectroscopy , 37 (1-3) pp. 223-229. 10.1002/jrs.1469.

Chen, B; Evans, JRG; (2006) Elastic moduli of clay platelets. Scripta Materialia , 54 (9) pp. 1581-1585. 10.1016/j.scriptamat.2006.01.018.

Chen, B; Evans, JRG; (2006) Nominal and effective volume fractions in polymer-clay nanocomposites. Macromolecules , 39 pp. 1790-1796. 10.1021/ma0522460.

Chen, B; Evans, JRG; (2006) Poly(epsilon-caprolactone)-clay nanocomposites: Structure and mechanical properties. Macromolecules , 39 (2) pp. 747-754. 10.1021/ma052154a.

Chen, B; Liu, S; Evans, JRG; (2006) Novel polymeric thermal actuators based on polymer-clay nanocomposites. Presented at: Chinese Polymer Symposium, Sichuan, P.R.China (Chinese Chem. Soc.; Chinese Mech. Eng. Soc.; Chinese Mater. Res. Soc.)October, 2006..

Chi, X; Yang, H; Yang, S; Evans, JRG; (2006) Direct extrusion freeforming of ceramic pastes. Presented at: UNSPECIFIED.

Chin, J; Coveney, PV; (2006) Chirality and domain growth in the gyroid mesophase. P ROY SOC A-MATH PHY , 462 (2076) pp. 3575-3600. 10.1098/rspa.2006.1741.

Clark, RJH; Mirabaud, S; (2006) Identification of the pigments on a sixteenth century Persian book of poetry by Raman microscopy. Journal of Raman Spectroscopy , 37 pp. 235-239. 10.1002/jrs.1473.

Cometto-Muniz, JE; Cain, WS; Abraham, MH; Sanchez-Moreno, R; (2006) Chemical boundaries for detection of eye irritation in humans from homologous vapors. Toxicological Sciences , 91 pp. 600-609. 10.1093/toxsci/kfj157.

Cooper, TG; de Leeuw, NH; (2006) A computer modelling study of the incorporation of K+, Ca2+ and Mg2+ impurities in two Na2SO4 polymorphs: Introducing a Na2SO4 potential model. In: JOURNAL OF CRYSTAL GROWTH. (pp. 137 - 149). ELSEVIER SCIENCE BV

Coreno, M; de Simone, M; Green, JC; Kaltsoyannis, N; Narband, N; Sella, A; (2006) Photoelectron spectroscopy of Ce(eta-C5H5)(3) - Accessing two ion states on 4f ionization. CHEM PHYS LETT , 432 (1-3) 17 - 21. 10.1016/j.cplett.2006.10.029.

Coreno, M.; de Simone, M.; Green, J.C.; Kaltsoyannis, N.; Narband, N.; Sella, A.; (2006) Photoelectron spectroscopy of Ce(η-C5H5)3 – Accessing two ion states on 4f ionization. Chemical Physics Letters , 432 (1-3) pp. 17-21. 10.1016/j.cplett.2006.10.029.

Coveney, PV; De Fabritiis, G; Harvey, MJ; Pickles, SM; Porter, AR; (2006) Coupled applications on distributed resources. COMPUT PHYS COMMUN , 175 (6) 389 - 396. 10.1016/j.cpc.2006.05.008.

Coveney, PV; Sadiq, SK; Saksena, RS; Thyveetil, J; Zasada, SJ; Mc Keown, M; Pickles, S; (2006) A lightweight application hosting environment for grid computing. In: Cox, SJ, (ed.) Proceedings of the UK e-Science All Hands Meeting 2006. (pp. 217 - 224). NATL E-SCIENCE CENTRE

Coveney, PV; Sadiq, SK; Saksena, RS; Zasada, SJ; (2006) Constructing chained molecular dynamics. Simulations of HIV-1 protease using the application hosting environment. In: Cox, SJ, (ed.) Proceedings of the UK e-Science All Hands Meeting 2006. (pp. 428 - 431). NATL E-SCIENCE CENTRE

Coveney, PV; Wattis, JAD; (2006) Coarse-graining and renormalization group methods for the elucidation of the kinetics of complex nucleation and growth processes. MOL PHYS , 104 (1) 177 - 185. 10.1080/00268970500317210.

Creighan, SC; Perry, JSA; Price, SD; (2006) The rovibrational distribution of H<sub>2</sub> and HD formed on a graphite surface at 15-50 K. The Journal of Chemical Physics , 124 114701-. 10.1063/1.2174878.

Cross, WB; Anderson, JC; Wilson, C; Blake, AJ; (2006) Molybdenum oxo-imido aryloxide complexes: Oxo analogues of olefin metathesis catalysts. INORG CHEM , 45 (11) 4556 - 4561. 10.1021/ic0521269.

Cutting, RS; Muryn, CA; Thornton, G; Vaughan, DJ; (2006) Molecular scale investigations of the reactivity of magnetite with formic acid, pyridine, and carbon tetrachloride. GEOCHIM COSMOCHIM AC , 70 (14) 3593 - 3612. 10.1016/j.gca.2006.04.034.


DUNNILL, C; (2006) Single-Step Synthesis and Surface-Assisted Growth of Superconducting TaS2 Nanowires. Angewandte Chemie , 118 (42) pp. 7218-7221. 10.1002/ange.200602614.

Davies, AG; Sella, A; Sivasubramaniam, R; (2006) Can mono- or di-butyltin chlorides produce tributyltin chloride at elevated temperatures? Implications for applications in chemical vapour deposition. J ORGANOMET CHEM , 691 (16) 3556 - 3561. 10.1016/j.jorganchem.2006.05.006.

De, S; Chowdhury, S; Tocher, DA; Datta, D; (2006) Molecular and supramolecular structures of benzil dihydrazone, an organic helical molecule. Comparison with diacetyl dihydrazone. CRYSTENGCOMM , 8 (9) 670 - 673. 10.1039/b608107j.

De Fabritiis, G; Delgado-Buscalioni, R; Coveney, PV; (2006) Multiscale modeling of liquids with molecular specificity. PHYS REV LETT , 97 (13) , Article 134501. 10.1103/PhysRevLett.97.134501. Green open access

De Fabritiis, G; Serrano, M; Espanol, P; Coveney, PV; (2006) Efficient numerical integrators for stochastic models. PHYSICA A , 361 (2) 429 - 440. 10.1016/j.physa.2005.06.090.

Deeming, AJ; Forth, C; Hogarth, G; (2006) Reactions of trans-[RuCl2(CO)(2)(PEt3)(2)]with 1,1-dithiolates: Stepwise formation of cis-[Ru(CO)(PEt3)(S2X)] (X = CNMe2, CNEt2, COEt, P(OEt)(2), PPh2). J ORGANOMET CHEM , 691 (1-2) 79 - 85. 10.1016/j.jorganchem.2005.08.051.

Deeming, AJ; Forth, C; Hogarth, G; (2006) Synthesis of cis-[Ru(CO)(2)(S2X)(2)] [X = CNMe2, COEt, PPh2, P(OEt)(2)] and molecular structure of [Ru(CO){eta(2)-S2P(OEt)(2)}{mu,eta(1),eta(2)-S2P(OEt)(2)}](2). TRANSIT METAL CHEM , 31 (1) 42 - 45. 10.1007/s11243-005-6339-6.

Deeming, AJ; Forth, C; Hogarth, G; (2006) Synthesis of cis-[Ru(CO)<sub>2</sub>(S<sub>2</sub>X)<sub>2</sub>][X=CNMe<sub>2</sub>, COEt, PPh<sub>2</sub>, P(OEt)<sub>2</sub>] and molecular structure of [Ru(CO){?<sup>2</sup>-S<sub>2</sub>P(OEt)<sub>2</sub>}{?,?<sup>1</sup>,?<sup>2</sup>-S<sub>2</sub>P. Transition Metal Chemistry , 31 pp. 42-45.

Delgado-Buscalioni, R; Coveney, PV; (2006) Structure of a tethered polymer under flow using molecular dynamics and hybrid molecular-continuum simulations. Presented at: 13th International Conference on Discrete Simulation of Fluid Dyanmics, Cambridge, MA.

Dimitratos, N; Lopez-Sanchez, JA; Lennon, D; Porta, F; Prati, L; Villa, A; (2006) Effect of particle size on monometallic and bimetallic (Au,Pd)/C on the liquid phase oxidation of glycerol. CATAL LETT , 108 (3-4) 147 - 153. 10.1007/s10562-006-0036-8.

Dimitratos, N; Messi, C; Porta, F; Prati, L; Villa, A; (2006) Investigation on the behaviour of Pt(0)/carbon and Pt(0),Au(0)/carbon catalysts employed in the oxidation of glycerol with molecular oxygen in water. J MOL CATAL A-CHEM , 256 (1-2) 21 - 28. 10.1016/j.molcata.2006.04.019.

Dimitratos, N; Vedrine, JC; (2006) Effect of Bronsted acidity in propane oxidation over Cs2.5H1.5PV1Mo11-xWxO40 polyoxometallate compounds. CATAL COMMUN , 7 (10) 811 - 818. 10.1016/j.catcom.2006.02.024.

Dimitratos, N; Vedrine, JC; (2006) Study of Ga modified Cs2.5H1.5PV1Mo11O40 heteropolyoxometallates for propane selective oxidation. J MOL CATAL A-CHEM , 255 (1-2) 184 - 192. 10.1016/j.molcata.2006.03.075.

Dimitratos, N; Villa, A; Bianchi, CL; Prati, L; Makkee, M; (2006) Gold on titania: Effect of preparation method in the liquid phase oxidation. APPL CATAL A-GEN , 311 185 - 192. 10.1016/j.apcata.2006.06.026.

Dimitratos, N; Villa, A; Wang, D; Porta, F; Su, DS; Prati, L; (2006) Pd and Pt catalysts modified by alloying with Au in the selective oxidation of alcohols. J CATAL , 244 (1) 113 - 121. 10.1016/j.jcat.2006.08.019.

Diorazio, L.J.; Motherwell, W.B.; Sheppard, T.D.; Waller, R.W.; (2006) Observations on the reaction of N-alkyloxazolidines, isocyanides and carboxylic acids: a novel three-component reaction leading to N-acyloxyethylamino acid amides. Synlett , 2006 (14) pp. 2281-2283. 10.1055/s-2006-950413.

Diorazio, LJ; Motherwell, WB; Sheppard, TD; Waller, RW; (2006) Observations on the reaction of N-alkyloxazolidines, isocyanides and carboxylic acids: A novel three-component reaction leading to N-acyloxyethylamino acid amides. SYNLETT (14) 2281 - 2283. 10.1055/s-2006-950413.

Dove, MT; White, TOH; Walker, AM; Bruin, RP; Austen, KF; Artacho, E; Sullivan, LA; (2006) Computational grids for mid-sized collaborative projects: The eMinerals experience. Presented at: UNSPECIFIED.

Du, Z; Alexandrov, VN; Alfredsson, M; Artacho, E; Austen, KF; Bennett, ND; Blanchard, M; (2006) A virtual research organization enabled by eMinerals minigrid: an integrated study of the transport and immobilization of arsenic species in the environment. In: Cox, SJ, (ed.) Proceedings of the UK e-Science All Hands Meeting 2006. (pp. 481 - 488). NATL E-SCIENCE CENTRE

Du, ZM; de Leeuw, NH; (2006) Molecular dynamics simulations of hydration, dissolution and nucleation processes at the alpha-quartz (0001) surface in liquid water. DALTON T (22) 2623 - 2634. 10.1039/b516258k.

Dunnill, CW; Edwards, HK; Brown, PD; Gregory, DH; (2006) Single-step synthesis and surface-assisted growth of superconducting TaS2 nanowires. ANGEW CHEM INT EDIT , 45 (42) 7060 - 7063. 10.1002/anie.200602614.

de Leeuw, NH; (2006) CIOCCO Proceedings - New Advances in Crystal Growth and Nucleation - 27 August-3 September 2005 - Barga, Nr.Lucca, Italy - Preface. J CRYST GROWTH , 294 (1) 1 - 1. 10.1016/j.jcrysgro.2006.05.023.

de Leeuw, NH; StiMpfl, M; Catlow, CRA; Drake, MJ; Deymier, PA; Walker, AW; (2006) Can the water pressure in the accretion disk sustain water adsorption on olivine? In: METEORITICS & PLANETARY SCIENCE. (pp. A45 - A45). METEORITICAL SOC


Evans, WJ; Champagne, TM; Ziller, JW; Kaltsoyannis, N; (2006) Planar trimethylenemethane dianion chemistry of lanthanide metallocenes: Synthesis, structure, density functional theory analysis, and reactivity of [(C5Me5)(2)Ln](2)[mu-eta(3):eta(3)-C(CH2)(3)] complexes. J AM CHEM SOC , 128 (50) 16178 - 16189. 10.1021/ja0645988.

Evans, WJ; Lee, DS; Ziller, JW; Kaltsoyannis, N; (2006) Trivalent [(C5Me5)(2)(THF)Ln](2)(mu-eta(2):eta(2)-N-2) complexes as reducing agents including the reductive homologation of CO to a ketene carboxylate, (mu-eta(4)-O2C-C=C=O)(2-). J AM CHEM SOC , 128 (43) 14176 - 14184. 10.1021/ja0640851.

Ewing, M; Ochoa, JCS; (2006) Vapour pressures of n-hexane determined by comparative ebulliometry. The Journal of Chemical Thermodynamics , 38 (3) pp. 283-288. 10.1016/j.jct.2005.05.014.


Fan, W; O'Brien, M; Ogura, M; Sanchez-Sanchez, M; Martin, C; Meneau, F; Kurumada, K; (2006) In situ observation of homogeneous nucleation of nanosized zeolite A. PHYS CHEM CHEM PHYS , 8 (11) 1335 - 1339. 10.1039/b510963a.

Filby, M; Deeming, AJ; Hogarth, G; Lee, MY; (2006) Small bite-angle diphosphines - Synthesis and structure of low-valent complexes of bis(di-ortho-tolylphosphino)methane (dotpm) and related ligands. CAN J CHEM , 84 (2) 319 - 329. 10.1139/V05-254.

Filgueiras, MRT; Mkhonto, D; de Leeuw, NH; (2006) Computer simulations of the adsorption of citric acid at hydroxyapatite surfaces. In: JOURNAL OF CRYSTAL GROWTH. (pp. 60 - 68). ELSEVIER SCIENCE BV

Fitzmaurice, RJ; Caddick, S; (2006) Synthesis and small molecule interactions of apo-Neocarzinostatin. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY , 231 ? - ?.

Fitzmaurice, RJ; Etheridge, ZC; Jumel, E; Woolfson, DN; Caddick, S; (2006) Microwave enhanced palladium catalysed coupling reactions: A diversity-oriented synthesis approach to functionalised flavones. CHEM COMMUN (46) 4814 - 4816. 10.1039/b610734f.

Flanagan, KB; Hoover, KC; Acree, JWE; Abraham, MH; (2006) Mathematical correlation of 1,2,4,5-tetramethylbenzene solubilities in organic solvents with the Abraham solvation parameter model. Physics and Chemistry of Liquids , 44 pp. 173-182. 10.1080/00319100500381441.

Flanagan, KB; Hoover, KC; Garza, O; Hizon, A; Soto, T; Villegas, N; Acree, JWE; (2006) Mathematical correlation of 1-chloroanthraquinone solubilities in organic solvents with the Abraham solubility parameter model. Physics and Chemistry of Liquids , 44 pp. 377-386. 10.1080/00319100600805448.

Florence, AJ; Johnston, A; Price, SL; Nowell, H; Kennedy, AR; Shankland, N; (2006) An automated parallel crystallisation search for predicted crystal structures and packing motifs of carbamazepine. J PHARM SCI-US , 95 (9) 1918 - 1930. 10.1002/jps.20647.

Fowler, PW; Coveney, PV; (2006) A computational protocol for the integration of the monotopic protein prostaglandin H2 synthase into a phospholipid bilayer. BIOPHYS J , 91 (2) 401 - 410. 10.1529/biophysj.105.077784.

Fowler, PW; Jha, S; Coveney, PV; (2006) STIMD: A grid-based method for accelerating the calculation of differences in binding free energies and its application to the binding of peptides to Src SH2 protein domains. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. ? - ?). AMER CHEMICAL SOC

Free, P; Hurley, CA; Kageyama, T; Chain, BM; Tabor, AB; (2006) Mannose-pepstatin conjugates as targeted inhibitors of antigen processing. ORG BIOMOL CHEM , 4 (9) 1817 - 1830. 10.1039/b600060f.

Free, P.F.; (2006) The role of cathepsin E in the antigen processing and presentation pathway. Doctoral thesis, University of London. Green open access

French, SA; Sokol, AA; Catlow, CR; Kornherr, A; Nauer, GE; Zifferer, G; (2006) A computational investigation of the different intermediates during organoalkoxysilane hydrolysis. J Phys Chem B , 110 (48) pp. 24311-24317. 10.1021/jp063503l.

French, SA; Sokol, AA; Catlow, CRA; Kornherr, A; Nauer, GE; Zifferer, G; (2006) A computational investigation of the different intermediates during organoalkoxysilane hydrolysis. J PHYS CHEM B , 110 (48) 24311 - 24317. 10.1021/jp0635031.


Ganellin, CR; (2006) Educating Chemists for Medicinal Chemistry. Medicinal Chemistry in Europe pp. 21-29.

Ganellin, CR; (2006) Development of Anti-Ulcer H<sub>2</sub>-Receptor Histamine Antagonists. In: Fischer, J and Ganellin, CR, (eds.) Analogue-based Drug Discovery. (pp. 71-80). WILEY-VCH

Gao, H; Gosvami, NN; Deng, J; Tan, LS; Sander, MS; (2006) Template-assisted patterning of nanoscale self-assembled monolayer arrays on surfaces. LANGMUIR , 22 (19) 8078 - 8082. 10.1021/la060658b.

Gervasio, FL; Boero, M; Parrinello, M; (2006) Double proton coupled charge transfer in DNA. Angew Chem Int Ed Engl , 45 (34) pp. 5606-5609. 10.1002/anie.200602106.

Gervasio, FL; Parrinello, M; Ceccarelli, M; Klein, ML; (2006) Exploring the gating mechanism in the ClC chloride channel via metadynamics. J Mol Biol , 361 (2) pp. 390-398. 10.1016/j.jmb.2006.06.034.

Giupponi, G; Coveney, PV; (2006) Non-Newtonian behaviour of the gyroid mesophase: A lattice-Boltzmann study. Presented at: UNSPECIFIED.

Giupponi, G; Harting, J; Coveney, PV; (2006) Emergence of rheological properties in lattice Boltzmann simulations of gyroid mesophases. EUROPHYS LETT , 73 (4) 533 - 539. 10.1209/epl/i2005-10438-x.

Gomez-Hortiguela, L; Cora, F; Catlow, CRA; Perez-Pariente, J; (2006) Computational study of a chiral supramolecular arrangement of organic structure directing molecules for the AFI structure. PHYS CHEM CHEM PHYS , 8 (4) 486 - 493. 10.1039/b511804b.

Gomez-Hortiguela, L; Marquez-Alvarez, C; Sastre, E; Cora, F; Perez-Pariente, J; (2006) Effect of fluorine-containing chiral templates on Mg distribution in the structure of MgAPO-5 and its influence on catalytic activity. CATALYSIS TODAY , 114 (2-3) 174 - 182. 10.1016/j.cattod.2006.01.014.

Gong, K; Darr, JA; Rehman, IU; (2006) Supercritical fluid assisted impregnation of indomethacin into chitosan thermosets for controlled release applications. 93 - 98.

Gonzalez-Segredo, N; Harting, J; Giupponi, G; Coveney, PV; (2006) Stress response and structural transitions in sheared gyroidal and lamellar amphiphilic mesophases: Lattice-Boltzmann simulations. PHYS REV E , 73 (3) 10.1103/PhysRevA.73.031503.

Grau-Crespo, R; Cora, F; Sokol, AA; de Leeuw, NH; Catlow, CRA; (2006) Electronic structure and magnetic coupling in FeSbO4: A DFT study using hybrid functionals and GGA+U methods. PHYS REV B , 73 (3) , Article 035116. 10.1103/PhysRevB.73.035116.

Grau-Crespo, R; Moreira, IDR; Illas, F; de Leeuw, NH; Catlow, CRA; (2006) The effect of cation coordination on the properties of oxygen vacancies in FeSbO4. J MATER CHEM , 16 (20) 1943 - 1949. 10.1039/b518219k.

Green, JC; Kalsoyannis, N; Sella, A; De Simone, M; Coreno, M; (2006) Accessing two final states by ionizing the F electron in a Ce(III) compound. In: Simos, T and Maroulis, G, (eds.) RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING, VOLS 7A AND 7B. (pp. 1293 - 1294). VSP BV-C/O BRILL ACAD PUBL

Greenwell, HC; Bindley, LA; Unwin, PR; Holliman, PJ; Jones, W; Coveney, PV; Barnes, SL; (2006) In situ monitoring of crystal growth and dissolution of oriented layered double-hydroxide crystals immobilized on silicon. Presented at: Summer School on New Advances in Crystal Growth and Nucleation of Complex Materials, Barga, ITALY.

Greenwell, HC; Bowden, AA; Chen, BQ; Boulet, P; Evans, JRG; Coveney, PV; Whiting, A; (2006) Intercalation and in situ polymerization of poly(alkylene oxide) derivatives within M+-montmorillonite (M = Li, Na, K). J MATER CHEM , 16 (11) 1082 - 1094. 10.1039/b505217c.

Greenwell, HC; Coveney, PV; (2006) Layered double hydroxide minerals as possible prebiotic information storage and transfer compounds. ORIGINS LIFE EVOL B , 36 (1) pp. 13-37.

Greenwell, HC; Jones, W; Coveney, PV; Stackhouse, S; (2006) On the application of computer simulation techniques to anionic and cationic clays: A materials chemistry perspective. J MATER CHEM , 16 (8) 708 - 723. 10.1039/b506932g.

Grosse, S; Elbs, M; Wong, J; Tabor, A; Hailes, H; Hart, S; (2006) Receptor-Targeting Smart Vectors for Efficient Gene Transfer to Tumours. MOLECULAR THERAPY , 13 S414-S414.

Guerrero, A; Martin, E; Hughes, DL; Kaltsoyannis, N; Bochmann, M; (2006) Zinc(II) eta(1)- and eta(2)-toluene complexes: Structure and bonding in Zn(C6F5)(2)center dot(toluene) and Zn(C6F4-2-C6F5)(2)center dot(toluene). ORGANOMETALLICS , 25 (14) 3311 - 3313. 10.1021/om060429k.

Guo, ZX; Shang, CX; Song, Y; (2006) Mechanochemical synthesis and first-principles simulations of Mg-based hydrogen storage materials. TMS Annual Meeting , 2006 321-.


Hadzifejzovic, E; Galiani, JAS; Caruana, DJ; (2006) Plasma electrochemistry: potential measured at boron doped diamond and platinum in gaseous electrolyte. PHYS CHEM CHEM PHYS , 8 (24) 2797 - 2809. 10.1039/b600115g.

Haider, S; Hall, BA; Sansom, MS; (2006) Simulations of a protein translocation pore: SecY. Biochemistry , 45 (43) pp. 13018-13024. 10.1021/bi061013d.

Hailes, HC; Smith, MEB; Smithies, K; Dalby, PA; Ward, JM; Woodley, JM; (2006) Chemoenzymatic synthesis of amniodiols: Engineering and directed evolution of biocatalytic pathways. Presented at: Catalysis and Biocatalysis in Green Chemistry Conference.

Hailes, HC; Smith, MEB; Smithies, K; Hibbert, EG; Kaulmann, U; Senussi, TO; Costelloe, S; (2006) Ketodiol and aminodiol synthesis. Presented at: Biocatalysis Gordon Research Conference.

Hailes, HC; Woodley, JM; (2006) Biocatalytic reaction development for synthetic chemistry. Chemistry Today , 24 pp. 3-4.

Hale, KJ; Frigerio, M; Manaviazar, S; Hummersone, MG; Fillingham, I; Barsukov, I; Damblon, C; (2006) Synthesis of a Simplified Bryostatin C-Ring Analogue That Binds to the CRD2 of Human PKC-alpha and Construction of a Novel BC-Analogue by an Unusual Julia Olefination Process. ORGANIC LETTERS , 5 (4) pp. 499-502.

Hamad, S; Catlow, CRA; (2006) Computational study of the relative stabilities of ZnS clusters, for sizes between 1 and 4 nm. In: (Proceedings) Summer School on New Advances in Crystal Growth and Nucleation of Complex Materials. (pp. pp. 2-8). ELSEVIER SCIENCE BV

Hamad, S; Moon, C; Catlow, CRA; Hulme, AT; Price, SL; (2006) Kinetic insights into the role of the solvent in the polymorphism of 5-fluorouracil from molecular dynamics simulations. J PHYS CHEM B , 110 (7) 3323 - 3329. 10.1021/jp055982e.

Hamad, S.; Moon, C.; Catlow, C.R.A.; Hulme, A.T.; Price, S.L.; (2006) Kinetic insights into the role of the solvent in the polymorphism of 5-Fluorouracil from molecular dynamics simulations. The Journal of Physical Chemistry B , 110 (7) pp. 3323-3329. 10.1021/jp055982e.

Hamilton, TD; Bučar, DK; Atkinson, MBJ; Papaefstathiou, GS; MacGillivray, LR; (2006) 1D and 2D metal-organic frameworks functionalized with free pyridyl groups. Journal of Molecular Structure , 796 (1-3) pp. 58-62. 10.1016/j.molstruc.2006.03.099.

Hancock, RD; Bartolotti, LJ; Kaltsoyannis, N; (2006) Density functional theory-based prediction of the aqueous phase chemistry of Roentgenium(I), the ‘softest’ metal ion. Inorganic Chemistry , 45 pp. 10780-10785. 10.1021/ic061282s.

Hart, SL; Tagalakis, A; Writer, MJ; Devaney, J; Hailes, HC; Tabor, AB; Wong, JB; (2006) Development of Lipid/Peptide (Lip/Tide) Vectors for Respiratory Gene Transfer. MOLECULAR THERAPY , 13 S269-S270.

Harvey, MJ; Scott, D; Coveney, PV; (2006) An integrated instrument control and Informatics system for combinatorial materials research. J CHEM INF MODEL , 46 (3) 1026 - 1033. 10.1021/ci050399g.

Hesse, J; Jacak, J; Kasper, M; Regl, G; Eichberger, T; Winklmayr, M; Aberger, F; (2006) RNA expression profiling at the single molecule level. GENOME RES , 16 (8) 1041 - 1045. 10.1101/gr.4999906.

Hill, AF; Tocher, DA; White, AJP; Williams, DJ; Wilton-Ely, JDET; (2006) Thiocarbamoyl complexes of ruthenium(II), rhodium(III), and iridium(III) (vol 24, pg 5342, 2005). ORGANOMETALLICS , 25 (8) 2108 - 2108. 10.1021/om050182r.

Hill, MS; Casely, IC; Crimmin, MR; Heath, A; (2006) INOR 1061-Group 2 elements in molecular catalysis. ABSTR PAP AM CHEM S , 232 ? - ?.

Hogarth, G; (2006) Dinuclear Iron Compounds with Iron-Iron Bonds. In: Crabtree, RHM and D, MP, (eds.) Comprehensive Organometallic Chemistry III. (pp. 221-258).

Hogarth, G; Faulkner, S; (2006) Cyclopentadienyl ruthenium(II) dithiocarbamate complexes: Crystal structures of [CpRu(PPh3)(S2CNPr2)] and [CpRu(PPh3)(S2CNMeBu)]. INORG CHIM ACTA , 359 (3) 1018 - 1022. 10.1016/j.ica.2005.08.032.

Hogarth, G; Faulkner, S; (2006) Cyclopentadienyl ruthenium(II) dithiocarbamate complexes: Crystal structures of [CpRu(PPh<sub>3</sub>)(S<sub>2</sub>CNPr<sub>2</sub>)] and [CpRu(PPh<sub>3</sub>)(S<sub>2</sub>CNMeBu)]. Inorganica Chimica Acta , 359 pp. 1018-1022.

Hogarth, G; Richards, I; (2006) Molecular Structure of tetranuclear [{Mo<sub>2</sub>O(S<sub>2</sub>CNEt<sub>2</sub>)(η<sup>1</sup>-O<sub>2</sub>CCF<sub>3</sub>)(μ-N-o-tol)<sub>2</sub>}<sub>2</sub>(μ-O)(μ-O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>] formed upon addition. Inorganica Chimica Acta , 359 pp. 1335-1338.

Hogarth, G; Richards, I; (2006) Molecular structure of tetranuclear [{Mo2O(S2CNEt2)(eta(1)-O2CCF3)(mu-N-o-tol)(2)}(2)(mu-O)(mu-O2CCF3)(2)] formed upon addition of trifluoroacetic acid to syn-[MoO(mu-N-o-tol)(S2CNEt2)](2). INORG CHIM ACTA , 359 (4) 1335 - 1338. 10.1016/j.ica.2005.08.035.

Holdich, RG; Cumming, IW; Perni, S; (2006) Boron mass transfer during seeded microfiltration. CHEM ENG RES DES , 84 (A1) 60 - 68.

Hollingsworth, N; Horley, GA; Mazhar, M; Mahon, MF; Molloy, KC; Haycock, PW; Myers, CP; (2006) Tin(H) aminoalkoxides and heterobimetallic derivatives: the structures of Sn-6(O)(4)(dmae)(4), Sn-6(O)(4)(OEt)(4) and [Sn(dmae)(2)Cd(acac)(2)](2). APPLIED ORGANOMETALLIC CHEMISTRY , 20 (10) pp. 687-695. 10.1002/aoc.1118.

Holt, KB; (2006) Clarke Oxygen Ultramicroelectrode. In: Handbook of Electrochemistry. (243 - 249).

Holt, KB; (2006) Using scanning electrochemical microscopy (SECM) to measure the electron-transfer kinetics of cytochrome c immobilized on a COOH-terminated alkanethiol monolayer on a gold electrode. LANGMUIR , 22 (9) 4298 - 4304. 10.1021/la0529916.

Horvath-Bordon, E; Riedel, R; Zerr, A; McMillan, PF; Auffermann, G; Prots, Y; Bronger, W; (2006) High-pressure chemistry of nitride-based materials. Chemical Society Reviews , 35 (10) pp. 987-1014. 10.1039/b517778m.

Hulme, AT; Johnston, A; Florence, AJ; Tocher, DA; (2006) 3-azabicyclo[3.3.1]nonane-2,4-dione acetic acid (1/1). ACTA CRYSTALLOGR E , 62 O545 - O547. 10.1107/S1600536806000602. Gold open access

Hulme, AT; Tocher, DA; (2006) The discovery of new crystal forms of 5-fluorocytosine consistent with the results of computational crystal structure prediction. CRYST GROWTH DES , 6 (2) 481 - 487. 10.1021/cg050398g.

Huq, A; Stephens, PW; Ayed, N; Binous, H; Burgio, L; Clark, RJH; Pantos, E; (2006) Combined technique analysis of the composition of Punic make-up materials. Applied Physics A: Materials Science and Processing , 83 pp. 253-256.

Hyett, G; Green, M; Parkin, IP; (2006) X-ray diffraction area mapping of preferred orientation and phase change in TiO2 thin films deposited by chemical vapor deposition. J AM CHEM SOC , 128 (37) 12147 - 12155. 10.1021/ja062766q.

Häller, J; Kaltsoyannis, N; (2006) The effect of solvent modeling of the geometry and vibrations of UO<sub>2</sub>(H<sub>2</sub>O)<sub>5</sub><sup>2+</sup>. In: Recent advances in Actinide Science. (pp. 261-263). RSC Publishing


Ingram, KIM; Haller, LJL; Kaltsoyannis, N; (2006) Density functional theory investigation of the geometric and electronic structures of [UO2(H2O)(m)(OH)(n)](2-n) (n+m=5). DALTON T (20) 2403 - 2414. 10.1039/b517281k.

Ingram, KIM; Kaltsoyannis, N; (2006) The performance of time-dependent density functional theory in the simulation of the electronic spectra of molecular uranium complexes. In: Recent advances in Actinide Science. (pp. 258-260). RSC Publishing

Ishaq, S; Porter, MJ; (2006) Allylsilyl propargyl ethers as substrates for intramolecular Pauson-Khand reactions. SYNTHETIC COMMUN , 36 (5) 547 - 557. 10.1080/00397910500406120.

Iwaki, T; Covington, JA; Gardner, JW; Udrea, F; Blackman, CS; Parkin, IP; (2006) SOI-CMOS based single crystal silicon microheaters for gas sensors. Proceedings of IEEE Sensors pp. 460-463. 10.1109/ICSENS.2007.355505.


Jackson, AW; Shebanova, O; Hector, AL; McMillan, PF; (2006) Amorphous and nanocrystalline titanium nitride and carbonitride materials obtained by solution phase ammonolysis of Ti(NMe2)4. Journal of Solid State Chemistry , 179 (5) pp. 1383-1393. 10.1016/j.jssc.2006.01.067.

Jacques, SDM; Leynaud, O; Strusevich, D; Beale, AM; Sankar, G; Martin, CM; Barnes, P; (2006) Redox behavior of Fe-Mo-O catalysts studied by ultrarapid in situ diffraction. ANGEW CHEM INT EDIT , 45 (3) 445 - 448. 10.1002/anie.200502897.

Jahn, S; Madden, PA; Wilson, M; (2006) Transferable interaction model for AI<sub>2</sub>O<sub>3</sub>. Physical Review B , 74 24112-1-24112-9.

Jee, CSY; Guo, ZX; Stoliarov, SI; Nyden, MR; (2006) Experimental and molecular dynamics studies of the thermal decomposition of a polyisobutylene binder. Acta Materialia , 54 (18) pp. 4803-4813. 10.1016/j.actamat.2006.06.014.

Jefferys, BR; Kelley, LA; Sergot, MJ; Fox, J; Sternberg, MJE; (2006) Capturing expert knowledge with argumentation: a case study in bioinformatics. BIOINFORMATICS , 22 (8) 924 - 933. 10.1093/bioinformatics/btl018.

Jones, J; Robinson, PD; Cook, RJ; Odell, E; Thompson, I; Yang, HY; Yang, S; (2006) Ceramic lattices for bone repair. Presented at: 84th General Session of the International Association for Dental Research (IADR), Brisbane, June/July, 2006..

Jordan, E; Bell, RG; Wilmer, D; Koller, H; (2006) Anion-promoted cation motion and conduction in zeolites. J AM CHEM SOC , 128 (2) 558 - 567. 10.1021/ja0551887.

Jordan, E.; Bell, R.G.; Wilmer, D.; Koller, H.; (2006) Anion-promoted cation motion and conduction in zeolites. Journal of the American Chemical Society , 128 (2) pp. 558-567. 10.1021/ja0551887.


Kabir, SE; Saha, MS; Tocher, DA; Hossain, GMG; Rosenberg, E; (2006) Triosmium clusters containing bridging dppm and EPh (E = S, Te) ligands: X-ray structures of [(mu-H)Os-3(CO)(7)(mu-SPh){mu(3)-eta(4)-Ph2PCHP(Ph)C6H4}], [Os-3(CO)(8)- (mu-SPh)(2)(mu-dppm)] and [Os-3(CO)(8)(mu-TePh)(2)(mu-dppm)]. J ORGANOMET CHEM , 691 (1-2) 97 - 104. 10.1016/j.jorganchem.2005.08.034.

Kabir, SE; Saha, MS; Tocher, DA; Hossain, GMG; Rosenberg, E; (2006) Triosmium clusters containing bridging dppm and EPh (E+S, Te) ligands: X-ray structures of [(μ-H)Os<sub>3</sub>(CO)<sub>7</sub>(μ-SPh){μ<sub>3</sub>-η<sup>4</sup>-Ph<sub>2</sub>PCHP(Ph)C<sub>6</sub>H<sub>4</sub>}], [Os<sub>3</sub>(CO)<. Journal of Organometallic Chemistry , 691 pp. 97-104.

Kaltsoyannis, N; Hay, PJ; Li, J; Blaudeau, JPB; B, E; (2006) Theoretical studies of the electronic structure of compounds of the actinide elements. In: Morss, LR and Edelstein, N and Fuger, J, (eds.) The Chemistry of the Actinide and Transactinide Elements. (pp. 1893-2012). Springer

Karamertzanis, PG; Price, SL; (2006) Energy minimization of crystal structures containing flexible molecules. J CHEM THEORY COMPUT , 2 (4) 1184 - 1199. 10.1021/ct600111s.

Kellici, S; Rehman, I; Darr, J; (2006) Controlled growth of titania nanospheres in supercritical carbon dioxide using a novel surfactant stabilised precursor. 159 - 161.

Kerridge, A; Savory, S; Harker, AH; Stoneham, AM; (2006) Time dependent quantum simulations of two-qubit gates based on donor states in silicon. J PHYS-CONDENS MAT , 18 (21) S767 - S776. 10.1088/0953-8984/18/21/S04. Green open access

Kervinen, K; Bruijnincx, PCA; Beale, AM; Mesu, JG; van Koten, G; Klein Gebbink, RJM; Weckhuysen, BM; (2006) Zeolite Framework Stabilized Copper Complex Inspired by the 2-His-1-carboxylate Facial Triad Motif Yielding Oxidation Catalysts. Journal of the American Chemical Society , 128 (10) pp. 3208-3217. 10.1021/ja0567992.

Khan, S; Oldman, RJ; Cora, F; Catlow, CRA; French, SA; Axon, SA; (2006) A computational modelling study of oxygen vacancies at LaCoO3 perovskite surfaces. PHYS CHEM CHEM PHYS , 8 (44) 5207 - 5222. 10.1039/b602753a.

Klein, J; Perkin, S; Kampf, N; (2006) Interactions between surfaces bearing charge patch mosaics. Presented at: 231st National Meeting of the American-Chemical-Society, Atlanta, GA.

Kornherr, A; Nauer, GE; Sokol, AA; French, SA; Catlow, CRA; Zifferer, G; (2006) Adsorption of organosilanes at a Zn-terminated ZnO (0001) surface: Molecular dynamics study. LANGMUIR , 22 (19) 8036 - 8042. 10.1021/la0604432.

Krzhizhanovskaya, VV; Korkhov, VV; Tirado-Ramos, A; Groen, DJ; Shoshmina, IV; Valuev, IA; Morozov, IV; (2006) Computational engineering on the grid: Crafting a distributed virtual reactor. Presented at: UNSPECIFIED.

Kumar, B; Gong, H; Gosvami, NN; Akkipeddi, R; O'Shea, SJ; (2006) Nanoscaled electrical homogeneity of indium zinc oxide films. APPL PHYS LETT , 88 (9) , Article 093111. 10.1063/1.2175494.

Kuznetsov, MV; Parkin, IP; Caruana, DJ; Morozov, YG; (2006) Combustion synthesis of sodium-substituted lanthanum manganites. MENDELEEV COMMUN (1) 36 - 38. 10.1070/MC2006v016n01ABEH002044.

Kuznetsov, MV; Parkin, IP; Kvick, A; Busurin, SM; Shishkovskiy, IV; Morozov, YG; (2006) Advanced ways and experimental methods in self-propagating high-temperature synthesis (SHS) of inorganic materials. RECENT DEVELOPMENTS IN ADVANCED MATERIALS AND PROCESSES , 518 181 - 188.


Lafitte, VGH; Aliev, AE; Horton, PN; Hursthouse, MB; Bala, K; Golding, P; Hailes, HC; (2006) Quadruply hydrogen bonded cytosine modules for supramolecular applications. J AM CHEM SOC , 128 (20) 6544 - 6545. 10.1021/ja0587289.

Lafitte, VGH; Aliev, AE; Horton, PN; Hursthouse, MB; Hailes, HC; (2006) Highly stable cyclic dimers based on non-covalent interactions. CHEM COMMUN (20) 2173 - 2175. 10.1039/b600459h.

Lambert, N; Kaltsoyannis, N; Price, SD; Zabka, J; Herman, Z; (2006) Bond-Forming Reactions of Dications with Molecules: A Computational and Experimental Study of the Mechanisms for the Formation of HCF<sub>2</sub><sup>+</sup> from CF3<sup>2+</sup> and H<sub>2</sub>. The Journal of Physical Chemistry A , 110 pp. 2898-2905.

Lambert, N; Kaltsoyannis, N; Price, SD; Zabka, J; Herman, Z; (2006) Bond-forming reactions of dications with molecules: A computational and experimental study of the mechanisms for the formation of HCF2+ from CF32+ and H-2. J PHYS CHEM A , 110 (9) 2898 - 2905. 10.1021/jp052981d.

Lancaster, RW; Karamertzanis, PG; Hulme, AT; Tocher, DA; Covey, DF; Price, SL; (2006) Racemic progesterone: predicted in silico and produced in the solid state. CHEM COMMUN (47) 4921 - 4923. 10.1039/b611599c.

Lee, C; Mellot-Draznieks, C; Slater, B; Wu, G; Harrison, WTA; Rao, CNR; Cheetham, AK; (2006) Thermodynamic and kinetic factors in the hydrothermal synthesis of hybrid frameworks: zinc 4-cyclohexene-1,2-dicarboxylates. CHEM COMMUN (25) 2687 - 2689. 10.1039/b603512d.

Lewis, AKD; Mok, BJ; Tocher, DA; Wilden, JD; Caddick, S; (2006) New synthesis of beta-sultams from pentafluorophenyl sulfonates. ORG LETT , 8 (24) 5513 - 5515. 10.1021/ol062164b.

Ling, SL; Yu, WB; Huang, ZJ; Lin, ZJ; Haranczyk, M; Gutowski, M; (2006) Gaseous arginine conformers and their unique intramolecular interactions. J PHYS CHEM A , 110 (44) 12282 - 12291. 10.1021/jp0645115.

Litvinenko, KL; Murdin, BN; Allam, J; Pidgeon, CR; Bird, M; Morris, K; Branford, W; (2006) Spin relaxation in n-InSb/AlInSb quantum wells. New Journal of Physics , 8 49-. Gold open access

Loerting, T; Salzmann, CG; Winkel, K; Mayer, E; (2006) The relation between high-density and very-high-density amorphous ice. PHYS CHEM CHEM PHYS , 8 (24) 2810 - 2818. 10.1039/b603159e.

Loerting, T; Schustereder, W; Winkel, K; Salzmann, CG; Kohl, I; Mayer, E; (2006) Amorphous ice: Stepwise formation of very-high-density amorphous ice from low-density amorphous ice at 125 K. PHYS REV LETT , 96 (2) , Article 025702. 10.1103/PhysRevLett.96.025702. Green open access

Lu, X; Yang, S; Chen, L; Evans, JRG; (2006) Dry powder microfeeding system for solid freeform fabrication. In: (pp. pp. 636-643).

Lu, X; Yang, S; Evans, JRG; (2006) Studies on ultrasonic microfeeding of fine powders. Journal of Applied Physics D: Applied Physics , 39 pp. 2444-2453. 10.1088/0022-3727/39/11/020.


MacManus-Driscoll, JL; Sharma, A; Bugoslavsky, Y; Branford, W; Cohen, LF; Wei, M; (2006) Reversible low-field magnetoresistance in Sr2Fe2-xMoxO6-delta by oxygen cycling and the role of excess Mo (x > 1) in grain-boundary regions. Advanced Materials , 18 (7) 900-.

Machon, D; Daisenberger, D; Soignard, E; Shen, G; Kawashima, T; Takayama-Muromachi, E; McMillan, PF; (2006) High pressure - high temperature studies and reactivity of gamma-Mo2N and delta-MoN. PHYS STATUS SOLIDI A , 203 (5) 831 - 836. 10.1002/pssa.200521008.

Machon, D; McMillan, PF; Xu, B; Dong, J; (2006) High-pressure study of the β -to- α transition in Ga2 O3. Physical Review B - Condensed Matter and Materials Physics , 73 (9) 10.1103/PhysRevB.73.094125.

Macmillan, D; (2006) Evolving strategies for protein synthesis converge on native chemical ligation. ANGEW CHEM INT EDIT , 45 (46) 7668 - 7672. 10.1002/anie.200602945.

Macmillan, D; Blanc, J; (2006) A novel neoglycopeptide linkage compatible with native chemical ligation. ORG BIOMOL CHEM , 4 (15) 2847 - 2850. 10.1039/b607200c.

Mallia, G; Dovesi, R; Cora, F; (2006) The anisotropy of dielectric properties in the orthorhombic and hexagonal structures of Anhydrite - an ab initio and hybrid DFT study. PHYS STATUS SOLIDI B , 243 (12) 2935 - 2951. 10.1002/pssb.200642161.

Manaviazar, S; Frigerio, M; Bhatia, GS; Hummersone, MG; Aliev, AE; Hale, KJ; (2006) Enantioselective formal total synthesis of the antitumor macrolide bryostatin 7. ORG LETT , 8 (20) 4476 - 4480. 10.1021/ol061626i.

Manaviazar, S; Frigerio, M; Bhatia, GS; Hummersone, MG; Aliev, AE; Hale, KJ; (2006) Enantioselective formal total synthesis of the antitumor macrolide bryostatin 7. Org Lett , 8 (20) pp. 4477-4480. 10.1021/ol061626i.

Markusen, JF; Mason, C; Hull, DA; Town, MA; Tabor, AB; Clements, M; Boshoff, CH; (2006) Behavior of adult human mesenchymal stem cells entrapped in alginate-GRGDY beads. TISSUE ENG , 12 (4) 821 - 830.

Marson, CM; Edaan, E; Morrell, JM; Coles, SJ; Hursthouse, MB; Davies, DT; (2006) ORGN 309-Catalytic asymmetric protocols for the enantioselective synthesis of 3(2H)-furanones. In: ABSTR PAP AM CHEM S. (pp. ? - ?). AMER CHEMICAL SOC

Marson, CM; Mahadevan, T; Dines, J; Sengmany, S; Morrell, JM; Alao, JP; Joel, SP; (2006) Stereodefined and Structure-Activity Relationships of Aryloxyalkanoic acid Hydroxyamides as Potent Inhibitors of Histone Deacetylase. BIOORG MED CHEM LETT , 16

Marson, CM; Melling, RC; (2006) Syntheses of enantiopure 3,4-diamino-1-substituted pyrrolidines. SYNTHESIS-STUTTGART (2) 247 - 256. 10.1055/s-2005-924769.

Marson, CM; Saadi, M; (2006) Synthesis of the penta-oxazole core of telomestatin in a convergent approach to poly-oxazole macrocycles. ORG BIOMOL CHEM , 4 (21) 3892 - 3893. 10.1039/b613791c.

Marson, CM; Savy, P; Rioja, AS; Mahadevan, T; Mikol, C; Veerupillai, A; Nsubuga, E; (2006) Aromatic sulfide inhibitors of histone deacetylase based on arylsulfinyl-2,4-hexadienoic acid hydroxyamides. J MED CHEM , 49 (2) 800 - 805. 10.1021/jm051010j.

Marson, CM; Sengmany, S; Middleton, B; Dines, J; Thomas, NSB; (2006) MEDI 148-Synthesis and evaluation of cyclopeptide inhibitors of histone deacetylase. In: ABSTR PAP AM CHEM S. (pp. ? - ?). AMER CHEMICAL SOC

Matxain, JM; Eriksson, LA; Mercero, JM; Ugalde, JM; Spano, E; Hamad, S; Catlow, CRA; (2006) Electronic excitation energies of ZniSi nanoparticles. NANOTECHNOLOGY , 17 (16) pp. 4100-4105. 10.1088/0957-4484/17/16/018.

Maurin, G; Bourrelly, S; Llewellyn, PL; Bell, RG; (2006) Simulation of the adsorption properties of CH4 in faujasites up to high pressure: Comparison with microcalorimetry. MICROPOR MESOPOR MAT , 89 (1-3) 96 - 102. 10.1016/j.micromeso.2005.09.024.

Maurin, G; Plant, DF; Henn, F; Bell, RG; (2006) Cation migration upon adsorption of methanol in NaY and NaX faujasite systems: A molecular dynamics approach. J PHYS CHEM B , 110 (37) 18447 - 18454. 10.1021/jp062059j.

Mazzanti, A; Lunazzi, L; Minzoni, M; Anderson, JE; (2006) Rotation in biphenyls with a single ortho-substituent. J Org Chem , 71 (15) pp. 5474-5481. 10.1021/jo060205b.

McMillan, PF; (2006) Chemistry at high pressure. Chemical Society Reviews , 35 (10) pp. 855-857. 10.1039/b610410j.

McMillan, PF; (2006) A glass of carbon dioxide. Nature , 441 (7095) 823-. 10.1038/441823a.

Mckay, A; Ruotolo, BT; Ilag, LL; Robinson, CV; (2006) Mass measurements of increased accuracy resolve heterogeneous populations of intact ribosomes. Journal of the American Chemical Society , 128 (35) pp. 11433-11442. 10.1021/ja061468q.

Mesu, JG; Beale, AM; de Groot, FMF; Weckhuysen, BM; (2006) Probing the Influence of X-rays on Aqueous Copper Solutions Using Time-Resolved in Situ Combined Video/X-ray Absorption Near-Edge/Ultraviolet−Visible Spectroscopy. The Journal of Physical Chemistry B , 110 (35) pp. 17671-17677. 10.1021/jp062618m.

Mesu, JG; Visser, T; Beale, AM; Soulimani, F; Weckhuysen, BM; (2006) Host–Guest Chemistry of Copper(II)–Histidine Complexes Encaged in Zeolite Y. Chemistry - A European Journal , 12 (27) pp. 7167-7177. 10.1002/chem.200600087.

Mesu, JG; Visser, T; Soulimani, F; van Faassen, EE; de Peinder, P; Beale, AM; Weckhuysen, BM; (2006) New Insights into the Coordination Chemistry and Molecular Structure of Copper(II) Histidine Complexes in Aqueous Solutions. Inorganic Chemistry , 45 (5) pp. 1960-1971. 10.1021/ic051305n.

Minns, RS; Kutteruf, MR; Zaidi, H; Ko, L; Jones, RR; (2006) Preserving coherence in Rydberg quantum bits. PHYS REV LETT , 97 (4) 10.1103/PhysRevLett.97.040504.

Mkhonto, D; Ngoepe, PE; Cooper, TG; de Leeuw, NH; (2006) A computer modelling study of the interaction of organic adsorbates with fluorapatite surfaces. PHYS CHEM MINER , 33 (5) 314 - 331. 10.1007/s00269-006-0080-3.

Mohebi, MM; Yang, S; Evans, JRG; (2006) Computer generation of metal components by simultaneous deposition of mould, cores and part. Presented at: UNSPECIFIED.

Mole, RA; Stride, JA; Wills, AS; Wood, PT; (2006) Static and dynamic properties of Mn-2(OH)(2)(C4O4). PHYSICA B-CONDENSED MATTER , 385 435 - 437. 10.1016/j.physb.2006.05.144.

Motherwell, WB; Zuberi, S; (2006) Observations on the reductive ring opening reactions of alkylidenecyclopropyl ketones promoted by lithium in liquid ammonia. TETRAHEDRON LETT , 47 (49) 8789 - 8791. 10.1016/j.tetlet.2006.09.124.


Naisbitt, SC; Pratt, KFE; Williams, DE; Parkin, IP; (2006) A microstructural model of semiconducting gas sensor response: The effects of sintering temperature on the response of chromium titanate (CTO) to carbon monoxide. SENSOR ACTUAT B-CHEM , 114 (2) 969 - 977. 10.1016/j.snb.2005.07.058.

Norton, J; Malik, KR; Darr, JA; Rehman, I; (2006) Recent developments in processing and surface modification of hydroxyapatite. 113 - 139.

Nowell, H; Frampton, CS; Waite, J; Price, SL; (2006) Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole. ACTA CRYSTALLOGR B , 62 642 - 650. 10.1107/S0108768106012584.


O'Brien, MG; Beale, AM; Catlow, CRA; Weckhuysen, BM; (2006) Unique organic-inorganic interactions leading to a structure-directed microporous aluminophosphate crystallization as observed with in situ Raman spectroscopy. J AM CHEM SOC , 128 (36) pp. 11744-11745. 10.1021/ja064230a.


Palgrave, RG; Parkin, IP; (2006) Aerosol assisted chemical vapor deposition using nanoparticle precursors: A route to nanocomposite thin films. J AM CHEM SOC , 128 (5) 1587 - 1597. 10.1021/ja055563v.

Palgrave, RG; Parkin, IP; (2006) Chemical vapour deposition of titanium chalcogenides and pnictides and tungsten oxide thin films. NEW J CHEM , 30 (4) 505 - 514. 10.1039/b513177d.

Palin, EJ; Grasa, GA; Catlow, CRA; (2006) A molecular mechanics investigation of the structures and energetics of two classes of Ru(II) complexes with applications in homogeneous catalysis. MOL SIMULAT , 32 (10-11) pp. 901-929. 10.1080/08927020600982491.

Pang, CL; Bikondoa, O; Humphrey, DS; Chen, Q; Onishi, H; Thornton, G; (2006) Tailored TiO<sub>2</sub>(110) surfaces and their reactivity. Nanotechnology , 17 (21) pp. 5397-5405.

Pang, CL; Bikondoa, O; Humphrey, DS; Papageorgiou, AC; Cabailh, G; Ithnin, R; Chen, Q; (2006) Tailored TiO2(110) surfaces and their reactivity. NANOTECHNOLOGY , 17 (21) 5397 - 5405. 10.1088/0957-4484/17/21/019.

Pang, CL; Sasahara, A; Onishi, H; Chen, Q; Thornton, G; (2006) Noncontact atomic force microscopy imaging of water dissociation products on TiO2(110). PHYS REV B , 74 (7) , Article 073411. 10.1103/PhysRevB.74.073411.

Pang, CL; Thornton, G; (2006) The many faces of rutile titania. SURF SCI , 600 (19) 4405 - 4406. 10.1016/j.susc.2006.07.031.

Parkin, IP; Manning, TD; (2006) Intelligent thermochromic windows. J CHEM EDUC , 83 (3) 393 - 400.

Parsons, ME; Ganellin, CR; (2006) Histamine and its receptors. British Journal of Pharmacology , 147 S127-S135.

Partap, S; Rehman, I; Jones, JR; Darr, JA; (2006) "Supercritical carbon dioxide in water" emulsion-templated synthesis of porous calcium alginate hydrogels. Advanced Materials , 18 (4) p. 501. 10.1002/adma.200501423.

Payne, DJ; Egdell, RG; Walsh, A; Watson, GW; Guo, J; Glans, PA; Learmonth, T; (2006) Electronic origins of structural distortions in post-transition metal oxides: Experimental and theoretical evidence for a revision of the lone pair model. PHYS REV LETT , 96 (15) 10.1103/PhysRevLett.96.157403.

Perkin, S; Chai, L; Kampf, N; Raviv, U; Briscoe, W; Dunlop, I; Titmuss, S; (2006) Forces between mica surfaces, prepared in different ways, across aqueous and nonaqueous liquids confined to molecularly thin films. LANGMUIR , 22 (14) 6142 - 6152. 10.1021/la053097h.

Perkin, S; Kampf, N; Klein, J; (2006) Long-range attraction between charge-mosaic surfaces across water. PHYS REV LETT , 96 (3) , Article 038301. 10.1103/PhysRevLett.96.038301. Green open access

Perni, S; Deng, XTT; Shama, G; Kong, MG; (2006) Modeling the inactivation kinetics of Bacillus subtilis spores by nonthermal plasmas. IEEE TRANSACTIONS ON PLASMA SCIENCE , 34 (4) 1297 - 1303. 10.1109/TPS.2006.878434.

Perni, S; Jordan, SJ; Andrew, PW; Shama, G; (2006) Biofilm development by Listeria innocua in turbulent flow regimes. FOOD CONTROL , 17 (11) 875 - 883. 10.1016/j.foodcont.2005.06.002.

Peroos, S; Du, ZM; de Leeuw, NH; (2006) A computer modelling study of the uptake, structure and distribution of carbonate defects in hydroxy-apatite. BIOMATERIALS , 27 (9) 2150 - 2161. 10.1016/j.biomaterials.2005.09.025.

Pichler, S; Muehlbacher, I; Sassmannshausen, J; Stelzer, F; (2006) POLY 539-Organic and polymeric silicone based material with switchable components for photorefractive reactions and applications. ABSTR PAP AM CHEM S , 232 ? - ?.

Plant, DF; Maurin, G; Bell, RG; (2006) Modeling the concentration dependence of the methanol self-diffusivity in faujasite systems: Comparison with the liquid phase. J PHYS CHEM B , 110 (32) 15926 - 15931. 10.1021/jp0629543.

Plant, DF; Simperler, A; Bell, RG; (2006) Adsorption of methanol on zeolites X and Y. An atomistic and quantum chemical study. J PHYS CHEM B , 110 (12) 6170 - 6178. 10.1021/jp0564142.

Plet, JRH; Porter, MJ; (2006) Synthesis of the bicyclic core of tagetitoxin. CHEM COMMUN (11) pp. 1197-1199. 10.1039/b600819d.

Pobigaylo, N; Wetter, D; Szymczak, S; Schiller, U; Kurtz, S; Meyer, F; Nattkemper, TW; (2006) Construction of a large signature-tagged mini-Tn5 transposon library and its application to mutagenesis of Sinorhizobium meliloti. Appl Environ Microbiol , 72 (6) pp. 4329-4337. 10.1128/AEM.03072-05.

Porter, MJ; Saez, F; Sandhu, AK; (2006) Direct conversion of tert-butyl 2-hydroxyalkyl sulfides to 1,3-oxathiolanes. TETRAHEDRON , 62 (5) pp. 931-936. 10.1016/j.tet.2005.10.026.

Powell, HS; (2006) Recycling Junkspace: finding space for ‘Playtime' in the city. The Journal of Architecture , 10 (2) pp. 201-221.

Power, EC; Ganellin, CR; Benton, CH; (2006) Partial structures of ketoconazole as modulators of the large conductance calcium-activated potassium channel (BK<sub>Ca</sub>). Bioorganic and Medicinal Chemistry Letters , 16 pp. 887-890.

Price, SL; Hamad, S; Torrisi, A; Karamertzanis, PG; Leslie, M; Catlow, CRA; (2006) Applications of DL_POLY and DL_MULTI to organic molecular crystals. MOL SIMULAT , 32 (12-13) 985 - 997. 10.1080/08927020600880810.


Qureshi, U; Manning, TD; Blackman, C; Parkin, IP; (2006) Composite thermochromic thin films: (TiO2)-(VO2) prepared from titanium isopropoxide,VOCl3 and water. POLYHEDRON , 25 (2) 334 - 338. 10.1016/j.poly.2005.08.018.


Rabone, JAL; De Leeuw, NH; (2006) Interatomic potential models for natural apatite crystals: Incorporating strontium and the lanthanides. J COMPUT CHEM , 27 (2) 253 - 266. 10.1002/jcc.20323.

Raiteri, P; Laio, A; Gervasio, FL; Micheletti, C; Parrinello, M; (2006) Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics. J Phys Chem B , 110 (8) pp. 3533-3539. 10.1021/jp054359r.

Raj, ES; Pratt, KFE; Skinner, SJ; Parkin, IP; Kilner, JA; (2006) High Conductivity La<sub>2</sub>-<sub><i>x</i></sub>Sr<sub><i>x</i></sub>Cu<sub>1</sub>-<sub><i>y</i></sub>(Mg, AI)<sub><i>y</i></sub>O<sub>4</sub> Solid State Metal Oxide Gas Sensors with the K<sub>2</sub>NiF<sub>4</sub> Structure. Chemistry of Materials , 18 (14) pp. 3351-3355.

Raj, ES; Pratt, KFE; Skinner, SJ; Parkin, IP; Kilner, JA; (2006) High conductivity La2-xSrxCu1-y(Mg, Al)(y)O-4 solid state metal oxide gas sensors with the K2NiF4 structure. CHEM MATER , 18 (14) 3351 - 3355. 10.1021/cm060520e.

Ramsahye, NA; Slater, B; (2006) Incidence and properties of nanoscale defects in silicalite. CHEM COMMUN (4) 442 - 444. 10.1039/b513582f.

Raugei, S; Gervasio, FL; Carloni, P; (2006) DFT modeling of biological systems. Physica Status Solidi (B) Basic Research , 243 (11) pp. 2500-2515. 10.1002/pssb.200642096.

Remirez, CP; Caruana, DJ; (2006) Immobilisation of glucose oxidase in electrodeposited copper. ELECTROCHEM COMMUN , 8 (3) 450 - 454.

Rennie, AR; Bare, S; Cockcroft, JK; Jupe, AC; (2006) Characterization of the flow of anisotropic colloidal particles using energy-dispersive X-ray diffraction. J COLLOID INTERF SCI , 293 (2) 475 - 482. 10.1016/j.jcis.2005.06.053.

Roberts, L; Blanshard, LJ; van Dam, KK; Price, SL; Price, LS; Brown, I; (2006) Providing an Effective Data Infrastructure for the Simulation of Complex Materials. Presented at: Fifth All Hands e-Science Meeting.


Sadiq, SK; Wan, S; Coveney, PV; (2006) Ensemble molecular dynamics simulations of HIV-1 protease with the inhibitor saquinavir: insights into the molecular basis of drug resistance caused by the G48V and L90M mutations. In: ANTIVIRAL THERAPY. (pp. S151 - S151). INT MEDICAL PRESS LTD

Sadiq, SK; Zasada, SJ; Coveney, PV; (2006) Grid assisted ensemble molecular dynamics simulations of HIV-1 proteases reveal novel conformations of the inhibitor saquinavir. In: Berthold, MR and Glen, R and Fischer, I, (eds.) COMPUTATIONAL LIFE SCIENCES II, PROCEEDINGS. (pp. 150 - 161). SPRINGER-VERLAG BERLIN

Salzmann, CG; Hallbrucker, A; Finney, JL; Mayer, E; (2006) Raman spectroscopic features of hydrogen-ordering in ice XII. CHEM PHYS LETT , 429 (4-6) 469 - 473. 10.1016/j.cplett.2006.08.079.

Salzmann, CG; Hallbrucker, A; Finney, JL; Mayer, E; (2006) Raman spectroscopic study of hydrogen ordered ice XIII and of its reversible phase transition to disordered ice V. PHYS CHEM CHEM PHYS , 8 (26) 3088 - 3093. 10.1039/b604360g.

Salzmann, CG; Loerting, T; Klotz, S; Mirwald, PW; Hallbrucker, A; Mayer, E; (2006) Isobaric annealing of high-density amorphous ice between 0.3 and 1.9 GPa: in situ density values and structural changes. PHYS CHEM CHEM PHYS , 8 (3) 386 - 397. 10.1039/b510168a.

Salzmann, CG; Radaelli, PG; Hallbrucker, A; Mayer, E; Finney, JL; (2006) The preparation and structures of hydrogen ordered phases of ice. SCIENCE , 311 (5768) 1758 - 1761. 10.1126/science.1123896.

Sarantaridis, D; Atkinson, A; (2006) Mechanical Modelling of Redox Cycling Damage in Solid Oxide Fuel Cells. Presented at: 7th European SOFC Forum, Lucerne, Switzerland.

Sasahara, A; Pang, CL; Onishi, H; (2006) Local work function of Pt clusters vacuum-deposited on a TiO2 surface. J PHYS CHEM B , 110 (35) 17584 - 17588. 10.1021/jp063665h.

Sasahara, A; Pang, CL; Onishi, H; (2006) Probe microscope observation of platinum atoms deposited on the TiO2(110)-(1 x 1) surface. J PHYS CHEM B , 110 (27) 13453 - 13457. 10.1021/jp062000c.

Sasahara, A; Pang, CL; Onishi, H; (2006) STM observation of a ruthenium dye adsorbed on a TiO2(110) surface. J PHYS CHEM B , 110 (10) 4751 - 4755. 10.1021/jp0562882.

Sassmannshausen, J; Green, JC; Stelzer, F; Baumgartner, J; (2006) Models for solvation of zirconocene cations: Synthesis, reactivity, and computational studies of phenylsilyl-substituted cationic and dicationic zirconocene compounds. ORGANOMETALLICS , 25 (11) pp. 2796-2805. 10.1021/om0509488.

Sassmannshausen, J; Track, A; Stelzer, F; (2006) Models for solvation of zirconocene cations: Synthesis, reactivity, and computational studies of cationic zirconocene benzyl compounds. ORGANOMETALLICS , 25 (18) pp. 4427-4432. 10.1021/om060538z.

Satterley, CJ; Lovelock, KRJ; Thom, I; Dhanak, VR; Buck, M; Jones, RG; (2006) Normal incidence X-ray standing wave analysis of thin gold films. SURF SCI , 600 (21) 4825 - 4828. 10.1016/j.susc.2006.07.062.

Sayle, TXT; Catlow, CRA; Maphanga, RR; Ngoepe, PE; Sayle, DC; (2006) Evolving microstructure in MnO2 using amorphisation and recrystallisation. Presented at: Summer School on New Advances in Crystal Growth and Nucleation of Complex Materials, Barga, ITALY.

Schiller, UD; (2006) Lattice Boltzmann D3Q19 implementation in ESPResSo. [Software]. The ESPResSo Team: Germany.

Schlapak, R; Pammer, P; Armitage, D; Zhu, R; Hinterdorfer, P; Vaupel, M; Fruhwirth, T; (2006) Glass surfaces grafted with high-density poly(ethylene glycol) as substrates for DNA oligonucleotide microarrays. LANGMUIR , 22 (1) 277 - 285. 10.1021/la0521793.

Sella, A; (2006) Chernobyl cataclysm. SOC CHEMICAL INDUSTRY

Sella, A; (2006) Degrading report. SOC CHEMICAL INDUSTRY

Sella, A; Brennan, JG; (2006) Scandium, Yttrium, and the Lanthanides. In: Specialist Periodical Reports: Organometallic Chemistry. (33 - 80). Royal Society of Chemistry

Serrano, M; De Fabritiis, G; Espanol, P; Coveney, PV; (2006) A stochastic Trotter integration scheme for dissipative particle dynamics. In: MATHEMATICS AND COMPUTERS IN SIMULATION. (pp. 190 - 194). ELSEVIER SCIENCE BV

Sharma, BK; Wilson, M; (2006) Intermediate-Range Order in Molten Network-forming Systems. Physical Review B , 73 060201-.

Shebanova, O; Soignard, E; McMillan, PF; (2006) Compressibilities and phonon spectra of high-hardness transition metal-nitride materials. HIGH PRESSURE RESEARCH , 26 (2) pp. 87-97. 10.1080/08957950600765186.

Shevlin, SA; Guo, ZX; (2006) Transition metal-doping enhanced hydrogen storage in BN systems. Applied Physics Letters , 89 153104-. 10.1103/PhysRevB.76.024104.

Shevlin, SA; Guo, ZX; (2006) Transition-metal-doping-enhanced hydrogen storage in boron nitride systems. APPL PHYS LETT , 89 (15) , Article 153104. 10.1063/1.2360232.

Shiju, NR; Fiddy, S; Sonntag, O; Stockenhuber, M; Sankar, G; (2006) Selective oxidation of benzene to phenol over FeAlPO catalysts using nitrous oxide as oxidant. CHEM COMMUN (47) 4955 - 4957. 10.1039/b608982h.

Silverwood, IP; McDougall, GS; Gavin Whittaker, A; (2006) A microwave-heated infrared reaction cell for the in situ study of heterogeneous catalysts. Phys Chem Chem Phys , 8 (46) pp. 5412-5416. 10.1039/b610832f.

Smiljanic, E.; (2006) Some studies of artificial enzyme systems. Doctoral thesis, University of London. Green open access

Smith, MEB; Kaulmann, U; Ward, JM; Hailes, HC; (2006) A colorimetric assay for screening transketolase activity. BIOORGAN MED CHEM , 14 (20) 7062 - 7065. 10.1016/j.bmc.2006.06.008.

Smith, MEB; Smithies, K; Hibbert, EG; Kaulmann, U; Senussi, T; Costelloe, S; Hailes, HC; (2006) Biocatalytic and organocatalytic approaches to ketodiols and aminodiols. Presented at: IUPAC International Conference of Biodiversity and Natural Products.

Smith, MEB; Smithies, K; Senussi, T; Dalby, PA; Hailes, HC; (2006) The first mimetic of the transketolase reaction. EUR J ORG CHEM (5) 1121 - 1123. 10.1002/ejoc.200500986.

Smithies, K; Kaulmann, U; Smith, MEB; Ward, JM; Woodley, JM; Hailes, HC; (2006) Combining organocatalysis and enzyme catalysis: Carbon-carbon bon formation followed by amination. Presented at: International symposium on Organocatalysis in Organic Synthesis.

Song, Y; Guo, ZX; (2006) Electronic structure, stability and bonding of the Li-N-H hydrogen storage system. Physical Review B , 74 195120-. 10.1103/PhysRevB.74.195120.

Song, Y; Guo, ZX; (2006) Metastable MgH2 phase predicted by first principles calculations. Applied Physics Letters , 89 (11) 10.1063/1.2349294.

Song, Y; Singh, R; Guo, ZX; (2006) A first-principles study of the electronic structure and stability of a lithium aluminum hydride for hydrogen storage. J Phys Chem B , 110 (13) pp. 6906-6910. 10.1021/jp0603280.

Stchedroff, MJ; Moberg, V; Rodriguez, E; Aliev, AE; Bottcher, J; Steed, JW; Nordlander, E; (2006) Synthesis, characterisation and natural abundance Os-187 NMR spectroscopy of hydride bridged triosmium clusters with chiral diphosphine ligands. INORG CHIM ACTA , 359 (3) 926 - 937. 10.1016/j.ica.2005.06.048.

Stimpfl, M; Drake, MJ; de Leeuw, NH; Deymier, P; Walker, AM; (2006) Effect of composition on adsorption of water on perfect olivine surfaces. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A615 - A615). PERGAMON-ELSEVIER SCIENCE LTD

Stimpfl, M; Walker, AM; Drake, MJ; de Leeuw, NH; Deymier, P; (2006) An angstrom-sized window on the origin of water in the inner solar system: Atomistic simulation of adsorption of water on olivine. In: JOURNAL OF CRYSTAL GROWTH. (pp. 83 - 95). ELSEVIER SCIENCE BV

Swamy, V; Muddle, BC; Kuznetsov, A; Dubrovinsky, LS; McMillan, PF; Prakapenka, VB; Shen, G; (2006) Size-dependent pressure-induced amorphization in nanoscale TiO2. Physical Review Letters , 96 (13) , Article 135702. 10.1103/PhysRevLett.96.135702. Green open access


Takle, AK; Brown, MJ; Davies, S; Dean, DK; Francis, G; Gaiba, A; Hird, AW; (2006) The identification of potent and selective imidazole-based inhibitors of B-Raf kinase. Bioorg Med Chem Lett , 16 (2) pp. 378-381. 10.1016/j.bmcl.2005.09.072.

Tang, XL; Dong, JJ; Hutchins, P; Shebanova, O; Gryko, J; Barnes, P; Cockcroft, JK; (2006) Thermal properties of Si-136: Theoretical and experimental study of the type-II clathrate polymorph of Si. PHYS REV B , 74 (1) , Article 014109. 10.1103/PhysRevB.74.014109.

Thirunamachandran, T; (2006) Electromagnetic fields of a Rontgen current source. Journal of Physics B: Atomic, Molecular and Optical Physics , 39 pp. 725-731.

Thomas, LH; Kaltsoyannis, N; (2006) An ab initio study of the electronic structure of BCl32+ and its decomposition pathways. PHYS CHEM CHEM PHYS , 8 (11) 1271 - 1281. 10.1039/b511227c.

Thornton, G; (2006) PHYS 24-Molecular interactions with single atom defects on TiO2(110): Comparing experiment with theoretical models. ABSTR PAP AM CHEM S , 232 ? - ?.

Tilocca, A; De Leeuw, NH; (2006) Structural and electronic properties of modified sodium and soda-lime silicate glasses by Car-Parrinello molecular dynamics. Journal of Materials Chemistry , 16 (20) pp. 1950-1955. 10.1039/b517362k.

Tilocca, A; de Leeuw, NH; (2006) Ab initio molecular dynamics study of 45S5 bioactive silicate glass. J PHYS CHEM B , 110 (51) 25810 - 25816. 10.1021/jp065146k.

Tilocca, A; de Leeuw, NH; (2006) Structural and electronic properties of modified sodium and soda-lime silicate glasses by Car-Parrinello molecular dynamics. J MATER CHEM , 16 (20) 1950 - 1955. 10.1039/b6517362k.

Tilocca, A; de Leeuw, NH; Cormack, AN; (2006) Shell-model molecular dynamics calculations of modified silicate glasses. PHYS REV B , 73 (10) , Article 104209. 10.1103/PhysRevB.73.104209.

Tinnemans, SJ; Mesu, JG; Kervinen, K; Visser, T; Nijhuis, TA; Beale, AM; Keller, DE; (2006) Combining operando techniques in one spectroscopic-reaction cell: New opportunities for elucidating the active site and related reaction mechanism in catalysis. Catalysis Today , 113 (1-2) pp. 3-15. 10.1016/j.cattod.2005.11.076.

To, J; Sherwood, P; Sokol, AA; Bush, IJ; Catlow, CRA; van Dam, HJJ; French, SA; (2006) QM/MM modelling of the TS-1 catalyst using HPCx. J MATER CHEM , 16 (20) 1919 - 1926. 10.1039/b601089j.

To, J; Sokol, AA; French, SA; Catlow, CRA; Sherwood, P; van Dam, HJJ; (2006) Formation of heteroatom active sites in zeolites by hydrolysis and inversion. ANGEW CHEM INT EDIT , 45 (10) 1633 - 1638. 10.1002/anie.200503006.

Tobias, G; Shao, LD; Salzmann, CG; Huh, Y; Green, MLH; (2006) Purification and opening of carbon nanotubes using steam. J PHYS CHEM B , 110 (45) 22318 - 22322. 10.1021/jp0631883.

Toroz, D; van Mourik, T; (2006) The structure of the gas-phase tyrosine-glycine dipeptide. Molecular Physics , 104 pp. 559-570.

Tranchant, I; Herve, AC; Carlisle, S; Lowe, P; Slevin, CJ; Forssten, C; Dilleen, J; (2006) Design and synthesis of ferrocene probe molecules for detection by electrochemical methods. BIOCONJUGATE CHEM , 17 (5) 1256 - 1264. 10.1021/bc060038m.

Tribello, GA; Slater, B; (2006) Proton ordering energetics in ice phases. CHEM PHYS LETT , 425 (4-6) 246 - 250. 10.1016/j.cplett.2006.04.111.

Tribello, GA; Slater, B; Salzmann, CG; (2006) A blind structure prediction of ice XIV. J AM CHEM SOC , 128 (39) 12594 - 12595. 10.1021/ja0630902.

Tsotinis, A; Vlachou, M; Papahatjis, DP; Calogeropoulou, T; Nikas, SP; Garratt, PJ; Piccio, VC-D; (2006) Mapping the melatonin receptor. 7. Subtype selective ligands based on beta-substituted N-acyl-5-methoxytryptamines and beta-substituted N-acyl-5-methoxy-1-methyltryptamines. Journal of Medicinal Chemistry , 49 (12) pp. 3509-3519.


van Mourik, T; Karamertzanis, PG; Price, SL; (2006) Molecular conformations and relative stabilities can be as demanding of the electronic structure method as intermolecular calculations. J PHYS CHEM A , 110 (1) 8 - 12. 10.1021/jp0563181.

van den Berg, AWC; Zwijnenburg, MA; Bromley, ST; Flikkema, E; Bell, RG; Jansen, JC; Schoonman, J; (2006) Comparing the influence of framework type on H-2 absorption in hypothetical and existing clathrasils: a grand canonical Monte Carlo study. J MATER CHEM , 16 (32) 3285 - 3290. 10.1039/b604377a.


Wakihara, T; Kohara, S; Sankar, G; Saito, S; Sanchez-Sanchez, M; Overweg, AR; Fan, W; (2006) A new approach to the determination of atomic-architecture of amorphous zeolite precursors by high-energy X-ray diffraction technique. PHYS CHEM CHEM PHYS , 8 (2) 224 - 227. 10.1039/b512840d.

Walsh, A; Watson, GW; Payne, DJ; Atkinson, G; Egdell, RG; (2006) A theoretical and experimental study of the distorted pyrochlore Bi2Sn2O7. J MATER CHEM , 16 (34) pp. 3452-3458. 10.1039/b606413b.

Walsh, A; Watson, GW; Payne, DJ; Edgell, RG; Guo, JH; Glans, PA; Learmonth, T; (2006) Electronic structure of the alpha and delta phases of Bi2O3: A combined ab initio and x-ray spectroscopy study. PHYS REV B , 73 (23) 10.1103/PhysRevB.73.235104.

Wan, SZ; Coveney, PV; Flower, DR; (2006) Modeling the key recognition event at the heart of the immune response. Presented at: 231st National Meeting of the American-Chemical-Society, Atlanta, GA.

Wang, J; Evans, JRG; (2006) Segregation in multi-component ceramic colloids during drying of droplets. Physical Review E , 73 021501-. 10.1103/PhysRevE.73.021501.

Wilden, J; (2006) Inhibition of dimethylarginine dimethylaminohydrolase (DDAH) and arginine deiminase (ADI) by pentafluorophenyl (PFP) sulfonates. Chemical Communications (44) pp. 5563-5565.

Wilding, MC; Wilson, M; McMillan, PF; (2006) Structural studies and polymorphism in amorphous solids and liquids at high pressure. CHEM SOC REV , 35 (10) 964 - 986.

Willitsch, S; Jungen, C; Merkt, F; (2006) Bending energy level structure and quasilinearity of the X<sup>+3</sup>B<sub>1</sub> ground electronic state of NH<sub>2</sub><sup>+"</sup>. The Journal of Chemical Physics , 124 204312-. 10.1063/1.2193519.

Willitsch, S.; Jungen, Ch.; Merkt, F.; (2006) Bending energy level structure and quasilinearity of the X̃[sup +] [sup 3]B[sub 1] ground electronic state of NH[sub 2][sup +]. The Journal of Chemical Physics , 124 (20) p. 204312. 10.1063/1.2193519.

Wills, A.S.; Zhitomirsky, M.E.; Canals, B.; Sanchez, J.P.; Bonville, P.; de Reotier, P.D.; Yaouanc, A.; (2006) Magnetic ordering in Gd2Sn2O7 the archetypal Heisenberg pyrochlore antiferromagnet. Journal of Physics Condensed Matter , 18 (3) L37-L42. 10.1088/0953-8984/18/3/L02.

Wills, AS; (2006) Magnetism. In: Annu. Rep. Prog. Chem., Sect. A: Inorg. Chem. (pp. 469-481).

Wills, AS; Zhitomirsky, ME; Canals, B; Sanchez, JP; Bonville, P; de Reotier, PD; Yaouanc, A; (2006) Magnetic ordering in Gd2Sn2O7: the archetypal Heisenberg pyrochlore antiferromagnet. J PHYS-CONDENS MAT , 18 (3) L37 - L42. 10.1088/0953-8984/18/3/L02.

Wilson, EL; Brown, WA; Thornton, G; (2006) RAIRS studies of CO adsorption on Pd/CeO2-x(111)/Pt(111). SURF SCI , 600 (12) 2555 - 2561. 10.1016/j.susc.2006.04.020.

Wilson, M; (2006) The formation of low-dimensional inorganic nanotube crystallites in carbon nanotubes. The Journal of Chemical Physics , 124 124706-.

Wilson, M; Friedrichs, S; (2006) The formation of low-dimensional metal trihalide crystals in carbon nanotubes. Acta Crystallographica Section A: Foundations of Crystallography , 62 (4) pp. 287-295. 10.1107/S0108767306018101.

Wilton-Ely, JDET; Solanki, D; Hogarth, G; (2006) Synthesis and reactivity of the ruthenium(II) dithiocarbonate complex [Ru(kappa(2)-S2C=O)(dppm)(2)] (dppm = bis(diphenylphosphino)methane). INORG CHEM , 45 (13) 5210 - 5214. 10.1021/ic060223b.

Wilton-Ely, JDET; Solanki, D; Hogarth, G; (2006) Synthesis and reactivity of the ruthenium(II) dithiocarbonate complex, [Ru(k2-S2C=O)(dppm)2]. Inorganic Chemistry , 45 pp. 5210-5214.

Wilton-Ely, JDET; Wang, M; Benoit, DM; Tocher, DA; (2006) Spectroscopic, structural and theoretical investigation of alkenyl ruthenium complexes supported by sulfur-nitrogen mixed-donor ligands. EUR J INORG CHEM (15) 3068 - 3078. 10.1002/ejic.200600241.

Wlodarczyk, A; McMillan, PF; Greenfield, SA; (2006) High pressure effects in anaesthesia and narcosis. Chem Soc Rev , 35 (10) pp. 890-898. 10.1039/b517771p.

Wojdel, JC; Zwijnenburg, MA; Bromley, ST; (2006) Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials. CHEM MATER , 18 (6) 1464 - 1469. 10.1021/cm052290u.

Wolthers, MVH; Charlet, L; Tournassat, C; (2006) Surface chemistry of bentonite: an additive model applied to uranyl sorption. In: Lutzenkirchen, J, (ed.) Surface Complexation Modelling. (539 - 554). Elsevier Ltd as an Academic Press imprint

Woodley, SM; Hamad, S; Mejias, JA; Catlow, CRA; (2006) Properties of small TiO2, ZrO2 and HfO2 nanoparticles. J MATER CHEM , 16 (20) 1927 - 1933. 10.1039/b600662k.

Woscholski, R; Hailes, H; Numbere, M; Rosivatz, E; (2006) Substituted Phenols and Related Compounds, and their Preparation, Pharmaceutical Compositions and use for Modulating PKB Activity. 2006097744.

Wright, JA; Danopoulos, AA; Motherwell, WB; Carroll, RJ; Ellwood, S; (2006) 'Pincer' pyridyl- and bipyridyl-N-heterocyclic carbene analogues of the Grubbs' metathesis catalyst. J ORGANOMET CHEM , 691 (24-25) 5204 - 5210. 10.1016/j.jorganchem.2006.08.023.

Wright, JA; Danopoulos, AA; Motherwell, WB; Carroll, RJ; Ellwood, S; Sassmannshausen, J; (2006) "Pincer" N-heterocyclic carbene complexes of rhodium functionalised with pyridyl and bipyridyl donors. EUR J INORG CHEM (23) 4857 - 4865. 10.1002/ejic.200600559.

Writer, M; Hurley, CA; Sarkar, S; Copeman, DM; Wong, JB; Odlyha, M; Lawrence, MJ; (2006) Analysis and optimization of the cationic lipid component of a lipid/peptide vector formulation for enhanced transfection in vitro and in vivo. J LIPOSOME RES , 16 (4) 373 - 389. 10.1080/08982100600992500.

Writer, M; Hurley, CA; Sarkar, S; Copeman, DM; Wong, JB; Odlyha, M; Lawrence, MJ; (2006) Analysis and optimization of the cationic lipid component of a lipid/peptide vector formulation for enhanced transfection in vitro and in vivo. J LIPOSOME RES , 16 (4) pp. 373-389. 10.1080/08982100600992500.


Xu, YF; Zhang, HJ; Lu, YH; Song, B; Chen, Q; Li, HY; Bao, SN; (2006) Studies of growth behavior of tetracene on Ru(10(1)over-bar0) at submonolayer coverage. SURFACE SCIENCE , 600 (10) pp. 2002-2006. 10.1016/j.susc.2006.02.030.


Yang, HY; Yang, S; Chi, XP; Evans, JRG; (2006) Ceramic lattices prepared by extrusion freeforming. Presented at: Institute of Materials, Minerals and Mining Congress, London, April 2006.

Yang, HY; Yang, S; Chi, XP; Evans, JRG; (2006) Fine ceramic lattices prepared by extrusion freeforming. Journal of Biomedical Materials Research Part B: Applied Biomaterials , 79B (1) pp. 116-121. 10.1002/jbm.b.30520.

Yu, H; Perni, S; Shi, JJ; Wang, DZ; Kong, MG; Shama, G; (2006) Effects of cell surface loading and phase of growth in cold atmospheric gas plasma inactivation of Escherichia coli K12. J APPL MICROBIOL , 101 (6) 1323 - 1330. 10.1111/j.1365-2672.2006.03033.x.

Yu, M; Bovet, N; Satterley, CJ; Bengio, S; Lovelock, KRJ; Milligan, PK; Jones, RG; (2006) True nature of an archetypal self-assembly system: Mobile Au-thiolate species on Au(111). PHYS REV LETT , 97 (16) , Article 166102. 10.1103/PhysRevLett.97.166102. Green open access

Yu, M; Woodruff, DP; Bovet, N; Satterley, CJ; Lovelock, K; Jones, RG; Dhanak, V; (2006) Structure investigation of Ag(111)(root 7x-root 7)R19 degrees-SCH3 by X-ray standing waves: A case of thiol-induced substrate reconstruction. J PHYS CHEM B , 110 (5) 2164 - 2170. 10.1021/jp0552325.


Zakiev, SE; Kholpanov, LP; Shishkovsky, IV; Parkin, IP; Kuznetsov, MV; Morozov, YG; (2006) Modelling of the thermal processes that occur during laser sintering of reacting powder compositions. APPL PHYS A-MATER , 84 (1-2) 123 - 129. 10.1007/s00339-006-3586-0.

Zeinalipour-Yazdi, C; (2006) Electronic structure and interlayer binding energy of graphite (UCSD doctoral thesis). gradworks.umi.com

Zeinalipour-Yazdi, CD; Pullman, DP; (2006) Correlation of polarizabilities with Van der Waals interactions in pi-systems. UNSPECIFIED

Zeinalipour-Yazdi, CD; Pullman, DP; (2006) Correlation of polarizabilities with van der waals interactions in π-systems. The Journal of Physical Chemistry B , 110 pp. 24260-24265.

Zhang, T; Harris, JJ; Branford, WR; Bugoslavsky, YV; Clowes, SK; Cohen, LF; Husmann, A; (2006) Tuning the inherent magnetoresistance of InSb thin films. Applied Physics Letters , 88 (1) 012110-.

Zhang, Y; Chen, L; Yang, S; Evans, JRG; (2006) Preparation of ceramic well-plates for combinatorial methods using the morphogenetic effects of droplet drying. Journal of the American Ceramic Society , 89 pp. 3858-3860. 10.1111/j.1551-2916.2006.01301.x.

Zwijnenburg, MA; Huenerbein, R; Bell, RG; Cora, F; (2006) A computational study into the (tetrahedral) distortion of TX2 alpha-quartz materials: The effect of changing the chemical composition away from SiO2. J SOLID STATE CHEM , 179 (11) 3429 - 3436. 10.1016/j.jssc.2006.07.011.

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