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Number of items: 225.

A

Abraham, MH; Ibrahim, A; Acree, WE; (2005) Air to blood distribution of volatile organic compounds: a linear free energy analysis. Chem Res Toxicol , 18 (5) pp. 904-911. 10.1021/tx050066d.

Akter, H; Deeming, AJ; Golzar Hossain, GM; Kabir, SE; Mondol, DN; Nordlander, E; Sharmin, A; (2005) Triphenylphosphine-substituted selenido and sulfido clusters of osmium derived from Ph3PSe or Ph3PS. Journal of Organometallic Chemistry , 690 (21-22) pp. 4628-4639. 10.1016/j.jorganchem.2005.07.038.

Akter, H; Deeming, AJ; Hossain, GMG; Kabir, SE; Mondol, DN; Nordlander, E; Sharmin, A; (2005) Triphenylphosphine-substituted selenido and sulfido clusters of osmium derived from Ph3P=Se or Ph3P=S. J ORGANOMET CHEM , 690 (21-22) 4628 - 4639. 10.1016/j.jorganchem.2005.07.038.

Alfredsson, M; Cora, F; Brodholt J P, PGD; (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 in the presence of divalent impurity ions. Physics andChemistry of Minerals , 32 (5-6) pp. 379-387.

Aliev, AE; Law, RV; (2005) Solid State NMR Spectroscopy. In: Webb, GA, (ed.) Nuclear Magnetic Resonance, volume 34. (pp. 253-327). The Royal Society of Chemistry

Apelt, J; Grassmann, S; Ligneau, X; Pertz, HH; Ganellin, CR; Arrang, JM; Schwartz, JC; (2005) Search for Histamine H3 receptor antagonists with combined inhibitory potency at NՇ-methyltransferase: ether derivatives. Pharmazie , 60 (2) pp. 97-106.

Arentsen, K; Caddick, S; Cloke, FGN; (2005) On the efficiency of two-coordinate palladium(0) N-heterocyclic carbene complexes in amination and Suzuki-Miyaura reactions of aryl chlorides. TETRAHEDRON , 61 (41) 9710 - 9715. 10.1016/j.tet.2005.06.070.

Ashworth, TV; Muryn, CA; Thornton, G; (2005) Nanodots and other low-dimensional structures of titanium oxides. NANOTECHNOLOGY , 16 (12) 3041 - 3044. 10.1088/0957-4484/16/12/052.

Avent, AG; Crimmin, MR; Hill, MS; Hitchcock, PB; (2005) Kinetic stability of heteroleptic (beta-diketiminato) heavier alkaline-earth (Ca, Sr, Ba) amides. DALTON T (2) 278 - 284. 10.1039/b415468a.

B

Bala, K; Hailes, HC; (2005) Nitrile oxide 1,3-dipolar cycloadditions in water: Novel isoxazoline and cyclophane synthesis. SYNTHESIS-STUTTGART (19) 3423 - 3427. 10.1055/s-2005-918471.

Bangura, A.F.; Coldea, A.I.; Singleton, J.; Ardavan, A.; Akutsu-Sato, A.; Akutsu, H.; Turner, S.S.; (2005) Robust superconducting state in the low-quasiparticle-density organic metals β^{″}-(BEDT-TTF)_{4}[(H_{3}O)M(C_{2}O_{4})_{3}]∙Y: superconductivity due to proximity to a charge-ordered state. Physical Review B , 72 (1) 014543. 10.1103/PhysRevB.72.014543.

Beale, AM; Sankar, G; Catlow, CRA; Anderson, PA; Green, TL; (2005) Towards an understanding of the oxidation state of cobalt and manganese ions in framework substituted microporous aluminophosphate redox catalysts: An electron paramagnetic resonance and X-ray absorption spectroscopy investigation. PHYS CHEM CHEM PHYS , 7 (8) 1856 - 1860. 10.1039/b415570j.

Beale, AM; van der Eerden, AMJ; Kervinen, K; Newton, MA; Weckhuysen, BM; (2005) Adding a third dimension to operando spectroscopy: a combined UV-Vis, Raman and XAFS setup to study heterogeneous catalysts under working conditions. Chemical Communications (24) p. 3015. 10.1039/b504027b.

Behrendt, J.; (2005) Use of polymeric supports for the synthesis of structurally defined oligomers. Doctoral thesis, University of London. Green open access
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Bernard, E.J.D.; (2005) New strategies for high sensitivity immunoassays. Doctoral thesis, University of London. Green open access

Betson, M; Barker, JA; Barnes, P; Atkinson, TC; (2005) Porosity Imaging in Porous Media using Synchrotron Tomographic Techniques. Transport in Porous Media , 60 (2) pp. 217-223.

Blackman, CS; Parkin, IP; (2005) Atmospheric pressure chemical vapor deposition of crystalline monoclinic WO3 and WO3-x thin films from reaction of WCl6 with O-containing solvents and their photochromic and electrochromic properties. CHEM MATER , 17 (6) 1583 - 1590. 10.1021/cm0403816.

Blanchard, M; Alfredsson, M; Brodholt, J; Price, GD; Wright, K; Catlow, CRA; (2005) Electronic structure study of the high-pressure vibrational spectrum of FeS2 pyrite. J PHYS CHEM B , 109 (46) 22067 - 22073. 10.1021/jp053540x.

Boghosian, BM; Coveney, PV; (2005) Scientific applications of grid computing. COMPUT SCI ENG , 7 (5) 10 - 13.

Boleat, E.D.; (2005) Coherent control of electronic and vibrational wave packets using phase-locked optical pulses. Doctoral thesis, University of London. Green open access
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Bolina, A.S.; (2005) Adsorption of astrochemically relevant molecules on interstellar dust grain analogue surfaces. Doctoral thesis, University of London. Green open access
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Bolina, A.S.; Wolff, A.J.; Brown, W.A.; (2005) Reflection absorption infrared spectroscopy and temperature-programmed desorption studies of the adsorption and desorption of amorphous and crystalline water on a graphite surface. The Journal of Physical Chemistry B , 109 (35) pp. 16836-16845. 10.1021/jp0528111.

Bolina, AS; Brown, WA; (2005) Studies of physisorbed ammonia overlayers adsorbed on graphite. SURF SCI , 598 (1-3) 45 - 56. 10.1016/j.susc.2005.08.025.

Bolina, AS; Wolff, AJ; Brown, WA; (2005) Reflection absorption infrared spectroscopy and temperature programmed desorption investigations of the interaction of methanol with a graphite surface. J CHEM PHYS , 122 (4) , Article 044713. 10.1063/1.1839554.

Boucher, S; Piwowarczyk, J; Marzke, RF; Takulapalli, B; Wolf, GH; McMillan, PF; Petuskey, WT; (2005) Melt and glass structure in the Al2O3 -CaO-LaPO4 system studied by 27Al and 31P NMR, and by Raman scattering. Journal of the European Ceramic Society , 25 (8 SPEC) pp. 1333-1340. 10.1016/j.jeurceramsoc.2005.01.016.

Bowker, M; Stone, P; Morrall, P; Smith, R; Bennett, R; Perkins, N; Kvon, R; (2005) Model catalyst studies of the strong metal-support interaction: Surface structure identified by STM on Pd nanoparticles on TiO2(110). J CATAL , 234 (1) 172 - 181. 10.1016/j.jcat.2005.05.024.

Branduardi, D; Gervasio, FL; Cavalli, A; Recanatini, M; Parrinello, M; (2005) The role of the peripheral anionic site and cation-π interactions in the ligand penetration of the human AChE gorge. Journal of the American Chemical Society , 127 (25) pp. 9147-9155. 10.1021/ja0512780.

Brym, M; Jones, C; Wilton-Ely, JDET; (2005) Auration, argentation, and mercuration reactions of an iridaphosphirene. Inorganic Chemistry , 44 (9) pp. 3275-3282. 10.1021/ic048532u.

Brym, M.; Jones, C.; Wilton-Ely, J. D. E. T.; (2005) Auration, argentation and mercuration reactions of an iridaphosphirene complex. Inorganic Chemistry , 44 (9) pp. 3275-3282. 10.1021/ic048532u.

Bugoslavsky, Y; Miyoshi, Y; Clowes, SK; Branford, WR; Lake, M; Brown, I; Caplin, AD; (2005) Possibilities and limitations of point-contact spectroscopy for measurements of spin polarization. Physical Review B , 71 (10) 104523-.

Burgio, L.; Clark, R.J.H.; Sheldon, L.; Smith, G.D.; (2005) Pigment identification by spectroscopic means: evidence consistent with the attribution of the painting young woman seated at a virginal to vermeer. Analytical Chemistry , 77 (5) pp. 1261-1267. 10.1021/ac048481i.

Bush, H.D.; (2005) Investigation into the reactivity of pentafluorophenyl vinylsulfonate in the formation of functionalized sulfonamides of biological importance. Doctoral thesis, University of London. Green open access
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C

Carcabal, P; Snoek, LC; Van Mourik, T; (2005) A computational and spectroscopic study of the gas-phase conformers of adrenaline. Molecular Physics , 103 (11-12) pp. 1633-1639.

Carley, R.E.; (2005) Development of a new apparatus for coherent control in sodium atoms and dimers. Doctoral thesis, University of London. Green open access
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Carmalt, CJ; (2005) Main Group Carbenes. In: Atwood, DA, (ed.) Encyclopedia of Inorganic Chemistry. Wiley

Carmalt, CJ; Newport, AC; O'Neill, SA; Parkin, IP; White, AJP; Williams, DJ; (2005) Synthesis of titanium(IV) guanidinate complexes and the formation of titanium carbonitride via low-pressure chemical vapor deposition. INORG CHEM , 44 (3) 615 - 619. 10.1021/ic049013u.

Carmalt, CJ; Peters, ES; Parkin, IP; Tocher, DA; (2005) Reactivity of tetrakisdimethylamido-titanium(IV) and -zirconium(IV) with thiols. NEW J CHEM , 29 (4) 620 - 624. 10.1039/b413060j.

Catlow, C.R.A.; French, S.A.; Sokol, A.A.; Thomas, J.M.; (2005) Computational approaches to the determination of active site structures and reaction mechanisms in heterogeneous catalysts. Philosophical Transactions of The Royal Society A Mathematical Physical and Engineering Sciences , 363 (1829) pp. 913-936. 10.1098/rsta.2004.1529.

Chain, B.M.; Free, P.; Medd, P.; Swetman, C.; Tabor, A.B.; Terrazzini, N.; (2005) The expression and function of cathepsin E in dendritic cells. The Journal of Immunology , 174 (4) pp. 1794-1800.

Chen, B; Evans, JRG; (2005) Novel thermoplastic starch-clay nanocomposite foams. Nanotechnology , 16 pp. 2334-2337. 10.1088/0957-4484/16/10/056.

Chen, B; Evans, JRG; (2005) On the thermodynamic driving force for polymer intercalation in smectite clays. Philosophical Magazine , 85 (14) pp. 1519-1538. 10.1080/14786430500036298.

Chen, B; Evans, JRG; (2005) Thermoplastic starch-clay nanocomposites and their characteristics. Carbohydrate Polymers , 61 pp. 455-463. 10.1016/j.carbpol.2005.06.020.

Chen, B; Evans, JRG; (2005) Volume fraction-property relationships in polymer-clay nanocomposites. Presented at: ICCE-12:12th International Conference on Composites/Nano Engineering, Tenerife, Spain, August 2005..

Chen, B; Evans, JRG; (2005) X-ray diffraction studies and phase volume determinations in poly(ethylene glycol)-montmorillonite nanocomposites. Polymer International , 54 pp. 807-813. 10.1002/pi.1774.

Chen, BQ; Bowden, AA; Greenwell, HC; Boulet, P; Coveney, PV; Whiting, A; Evans, JRG; (2005) Morphology and elastic modulus of novel poly[oligo(ethylene glycol) diacrylate]-montmorillonite nanocomposites. J POLYM SCI POL PHYS , 43 (14) pp. 1785-1793. 10.1002/polb.20459.

Clare, D.F.; (2005) Computational studies of protein-peptide interactions. Doctoral thesis, University of London. Green open access
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Clark, RJH; (2005) Artistic differences: review of the play "Phallacy" written by Carl Djerassi and performed at the New End Theatre, Hampstead. Nature , 434 1071-.

Clark, RJH; (2005) Raman Microscopy in the Identification of Pigments on Manuscripts and Other Artwork. In: Scientific Examination of Art. (pp. 162-185). National Academies Press: Washington D.C..

Cobb, AJA; Marson, CM; (2005) Asymmetric synthesis using catalysts containing multiple stereogenic centres and a trans-1,2-diaminocyclohexane core; reversal of predominant enantioselectivity upon N-alkylation. Tetrahedron , 61 pp. 1269-1279.

Coldea, AI; Bangura, AF; Singleton, J; Ardavan, A; Akutsu-Sato, A; Akutsu, H; Turner, SS; (2005) The Robust Superconducting State in the low-quasiparticle-density Organic Metals beta"-(BEDT-TTF)<sub>4</sub>[(H<sub>3</sub>O)M(C<sub>2</sub>O<sub>4</sub>)<sub>4</sub>]Y; Superconductivity due to Proximity to a Charge-ordered State. Physical Review B , B 72 014543.1-014543.13. 10.1103/PhysRevB.72.014543.

Colston, SL; Barnes, P; Jupe, AC; Jacques, SDM; Hall, C; Livesey, P; Dransfield, J; (2005) An in situ Synchrotron Energy-Dispersive Diffraction study of the Hydration of Oilwell Cement systems under High Temperature/Autoclave conditions up to 130C. Cement and Concrete Research , 35 (12) pp. 2223-2232.

Cora, F; (2005) The performance of hybrid density functionals in solid state chemistry: the case of BaTiO3. MOL PHYS , 103 (18) 2483 - 2496. 10.1080/00268970500179651.

Costelloe, SJ; Senussi, T; Hibbert, EG; Smith, MEB; Hailes, HC; Ward, JM; Dalby, PA; (2005) Evolution and engineering of transketolase substrate specificity. In: (Proceedings) Biochemical Society - Biocatalysis: Enzymes, Mechanisms and Bioprocesses. : Manchester, UK.

Coveney, PV; (2005) Scientific Grid Computing. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 363 (15 Aug) pp. 1701-2095.

Cyganik, P; Buck, M; Wilton-Ely, J; Wöll, C; (2005) Stress in Self-Assembled Monolayers: ?-Biphenyl Alkane Thiols on Au(111). The Journal of Physical Chemistry B , 109 (21) pp. 10902-10908. 10.1021/jp051378s.

Cyganik, P; Buck, M; Wilton-Ely, JDET; Woell, C; (2005) Stress in Self-Assembled Monolayers: Omega-Biphenyl Alkane Thiols on Au(111). The Journal of Physical Chemistry B , 109 pp. 10902-10908.

Cyganik, P.; Buck, M.; Wilton-Ely, J. D. E. T.; Wöll, C.; (2005) Stress in Self-Assembled Monolayers: ω-Biphenyl Alkane Thiols on Au(111). Journal of Physical Chemistry B , 109 (21) pp. 10902-10908. 10.1021/jp051378s.

D

Day, GM; Motherwell, WDS; Ammon, HL; Boerrigter, SXM; Della Valle, RG; Venuti, E; Dzyabchenko, A; (2005) A third blind test of crystal structure prediction. ACTA CRYSTALLOGR B , 61 511 - 527. 10.1107/S0108768105016563.

DeSouza, J.A.; (2005) Synthesis and characterisation of nanocrystalline titania spheres: Application to photocatalysis. Doctoral thesis, University of London. Green open access
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Delgado-Buscalioni, R; Flekkoy, EG; Coveney, PV; (2005) Fluctuations and continuity in particle-continuum hybrid simulations of unsteady flows based on flux-exchange. EUROPHYS LETT , 69 (6) pp. 959-965. 10.1209/epl/i2004-10431-y.

Dixon, DJ; Ley, SV; Lohmann, S; Sheppard, TD; (2005) Synthesis of a ceramide sphingolipid as a potential sex pheromone of the hair crab Erimacrus isenbeckii using butane-2,3-diacetal desymmetrised glycolic acid building blocks. Synlett (3) pp. 481-484. 10.1055/s-2005-862361.

Dixon, S.L.; (2005) Instrumental development for understanding atmospheric chemistry and kinetic studies of chlorine oxide dimerisation. Doctoral thesis, University of London. Green open access
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Domostoj, M.; (2005) Enantiospecific total synthesis of (-)-agelastatin a and evaluation of its biological properties. Doctoral thesis, University of London. Green open access
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E

Edaan, E.; (2005) Enantioselective syntheses of 2,3-dihydro-4h-pyran-4-ones and 3(2h)-furanones. Doctoral thesis, University of London. Green open access
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Elgayar, I; Aliev, AE; Boccaccini, AR; Hill, RG; (2005) Structural analysis of bioactive glasses. J NON-CRYST SOLIDS , 351 (2) 173 - 183. 10.1016/j.jnoncrysol.2004.07.067.

Emmerich, W; Butchart, B; Chen, L; Wassermann, B; Price, SL; (2005) Grid Service Orchestration using the Business Process Execution Language (BPEL). UCL-CS Research Note RN/05/07: London, UK.

Etzkorn, M; Kumar, PSA; Tang, W; Zhang, Y; Kirschner, J; (2005) High-wave-vector spin waves in ultrathin Co films on W (110). Physical Review B , 72 (18) p. 184420.

Etzkorn, M; Kumar, PSA; Vollmer, R; Tang, W; Zhang, Y; Ibach, H; Kirschner, J; (2005) High wave vector spin waves in ultrathin Co-films investigated by spin-polarized electron energy loss spectroscopy. Presented at: UNSPECIFIED, IEEE.

F

Ferey, G; Mellot-Draznieks, C; Serre, C; Millange, F; Dutour, J; Surble, S; Margiolaki, I; (2005) A chromium terephthalate-based solid with unusually large pore volumes and surface area. Science , 309 (5743) pp. 2040-2042. 10.1126/science.1116275.

Flekkoy, EG; Delgado-Buscalioni, R; Coveney, PV; (2005) Flux boundary conditions in particle simulations. PHYS REV E , 72 (2) 10.1103/PhysRevE.72.026703.

Franklin, I.L.; (2005) Studies of metal substituted alumino-phosphates and other related systems. Doctoral thesis, University of London. Green open access
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Freiria, M; Whitehead, AJ; Motherwell, WB; (2005) Formal enantioselective synthesis of (-)-carbovir and (-)-abacavir: An application of the rhodium(I)-catalysed tandem hydrosilylation-intramolecular aldol reaction. SYNTHESIS-STUTTGART (18) 3079 - 3084. 10.1055/s-2005-918423.

G

Ganellin, CR; Bishop, PB; Bambal, RB; Chan, SMT; Leblond, B; Moore, ANJ; Zhao, L; (2005) Inhibitors of Tripeptidyl Peptidase II. 3. Derivation of Butabinide by Successive Structure Optimizations Leading to a Potential General Approach to Designing Exopeptidase Inhibitors. Journal of Medicinal Chemistry , 48 pp. 7333-7342.

Gervasio, FL; (2005) Performance of metadynamics in flexible docking. Abstracts of Papers of the American Chemical Society , 229 U766 - U766.

Gervasio, FL; Laio, A; Parrinello, M; (2005) Translocation mechanism of ions in channels and enzymatic gorges. Abstracts of Papers of the American Chemical Society , 230 U2958 - U2958.

Glans, PA; Learmonth, T; Smith, KE; Guo, J; Walsh, A; Watson, GW; Terzi, F; (2005) Experimental and theoretical study of the electronic structure of HgO and Tl2O3. PHYS REV B , 71 (23) 10.1103/PhysRevB.71.235109.

Gomes, J; David, M; Martins, J; Bernardo, L; García, A; Hardt, M; Kornmayer, H; (2005) Experience with the International Testbed in the CrossGrid Project. In: (pp. pp. 98-110).

Gomes de Sousa, FC; Evans, JRG; (2005) Tubular hydroxyapatite scaffolds. Advances in Applied Ceramics , 104 pp. 30-34.

Gomez, S.H.; (2005) Computational study of the nucleation and growth of ZnS. Doctoral thesis, University of London. Green open access
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Gomez-Hortiguela, L; Cora, F; Catlow, CRA; Blasco, T; PErez-Pariente, J; (2005) fluorinated dbdm as structure directing agent for the synthesis of ALPO and SAPO-5. Effect of fluorine. Studies in Surface Science and Catalysis , 158 pp. 327-334.

Gomez-Hortiguela, L; Perez-Pariente, J; Cora, F; Catlow, CRA; Blasco, T; (2005) Structure-directing role of molecules containing benzyl rings in the synthesis of a large-pore aluminophosphate molecular sieve: An experimental and computational study. J PHYS CHEM B , 109 (46) 21539 - 21548. 10.1021/jp0519215.

González-Outeiriño, J; Nasser, R; Anderson, JE; (2005) Conformation of acetate derivatives of sugars and other cyclic alcohols. Crystal structures, NMR studies, and molecular mechanics calculations of acetates. When is the exocyclic C-O bond eclipsed? Journal of Organic Chemistry , 70 (7) pp. 2486-2493. 10.1021/jo048295c.

Goumans, TPM; Ehlers, AW; Lammertsma, K; (2005) Toward The Catalytic Synthesis of Phosphiranes. A Computational Study. Journal of Organometallic Chemistry , 690 (24-25) pp. 5517-5524. 10.1016/j.jorganchem.2005.05.040.

Goumans, TPM; Ehlers, AW; Lammertsma, KL; (2005) The asymmetric Schrock olefin metathesis catalyst. A computational study. ORGANOMETALLICS , 24 (13) pp. 3200-3206. 10.1021/om050109l.

Grandjean, D; Beale, AM; Petukhov, AV; Weckhuysen, BM; (2005) Unraveling the Crystallization Mechanism of CoAPO-5 Molecular Sieves under Hydrothermal Conditions. Journal of the American Chemical Society , 127 (41) pp. 14454-14465. 10.1021/ja054014m.

Grau-Crespo, R; de Moreira, IPR; Illas, F; de Leeuw, NH; Catlow, C. R. A., ; (2005) The effect of coordination on the properties of oxygen vacancies in FeSbO4. In: Science and supercomputing in Europe. (90 - 101).

Greenwell, HC; Harvey, MJ; Boulet, P; Bowden, AA; Coveney, PV; Whiting, A; (2005) Interlayer structure and bonding in nonswelling primary amine intercalated clays. MACROMOLECULES , 38 (14) pp. 6189-6200. 10.1021/ma0503817.

Griffiths, J-P; Nie, H; Brown, RJ; Day, P; Wallis, JD; (2005) Synthetic strategies to chiral organosulphur donors related to bis(ethylenedithio)tetrathiafulvalene. Organic and Biomolecular Chemistry , 3 (11) pp. 2155-2166. 10.1039/b502437d.

Guan, P.; (2005) HLA class I supertype and supermotif definition by chemometric approaches. Doctoral thesis, University of London. Green open access
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H

Haider, S; Grottesi, A; Hall, BA; Ashcroft, FM; Sansom, MS; (2005) Conformational dynamics of the ligand-binding domain of inward rectifier K channels as revealed by molecular dynamics simulations: toward an understanding of Kir channel gating. Biophys J , 88 (5) pp. 3310-3320. 10.1529/biophysj.104.052019.

Hailes, HC; Smith, MEB; Smithies, K; Dalby, PA; Ward, JM; Woodley, JM; (2005) Chemoenzymatic synthesis of amniodiols: Engineering and directed evolution of biocatalytic pathways. In: (Proceedings) Catalysis and Biocatalysis in Green Chemistry. : Cambridge.

Hailes, HC; Tabor, AB; Wong, JB; Pilkington-Miksa, M; Hart, SL; Hurley, CA; (2005) Preparation of Quaternary Ammonium Lipids and their Complexation with Peptides for Delivery to Cells. 20050245446.

Hale, KJ; Domostoj, MM; El-Tanani, M; Campbell, FC; Mason, CK; (2005) Total Synthesis and Mechanism of Action Studies on the Antitumor Alkaloid (-)-Agelastatin A. In: Strategies and Tactics in Organic Synthesis. Vol 6. (pp. 352-394). Elsevier

Hamad, S; Catlow, CRA; Spano, E; Matxain, JM; Ugalde, JM; (2005) Structure and properties of ZnS nanoclusters. J PHYS CHEM B , 109 (7) 2703 - 2709. 10.1021/jp0465940.

Hamad, S; Cristol, S; Catlow, CRA; (2005) Simulation of the embryonic stage of ZnS formation from aqueous solution. J AM CHEM SOC , 127 (8) 2580 - 2590. 10.1021/ja045274r.

Hamad, S.; Cristol, S.; Catlow, C.R.A.; (2005) Simulation of the embryonic stage of ZnS formation from aqueous solution. Journal of the American Chemical Society , 127 (8) pp. 2580-2590. 10.1021/ja045274r.

Harper, S.M.; (2005) A study of the formation, dissociation and reactivity of molecular dications. Doctoral thesis, University of London. Green open access
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Harting, J; Chin, J; Venturoli, M; Coveney, PV; (2005) Large-scale lattice Boltzmann simulations of complex fluids: advances through the advent of computational Grids. PHILOS T R SOC A , 363 (1833) pp. 1895-1915. 10.1098/rsta.2005.1618.

Hector, AL; Jackson, AW; McMillan, PF; Shebanova, O; (2005) Amorphous "Ti3N4" and formation of nanocrystalline TiN. Materials Research Society Symposium Proceedings , 848 pp. 69-73.

Herath, HMTU; DiSilvio, L; Evans, JRG; (2005) Porous hydroxyapatite ceramics for tissue engineering. Journal of Applied Biomaterials and Biomechanics , 3 pp. 192-198.

Herath, HMTU; DiSilvio, L; Evans, JRG; (2005) Scandia, a potential biomaterial? Journal of Materials Science: Materials in Medicine , 16 pp. 1061-1065.

Herbal, K.; (2005) Some novel aspects of carbocation chemistry via sn1 ring opening of epoxides. Doctoral thesis, University of London. Green open access
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Hogarth, G; Alvarez-Falcon, MM; (2005) Gold(I) alkynyl complexes derived from ethynylanilines: crystal structure of [Au(C?C-4-C<sub>6</sub>H<sub>4</sub>NH<sub>2</sub>{P(3-tolyl)<sub>3</sub>}] a polymer in the solid state via NH...Au contacts. Inorganica Chimica Acta , 358 pp. 1386-1392.

Hogarth, G.; Holman, K.T.; Pateman, A.; Sella, A.; Steed, J.W.; Richards, I.; (2005) Multiple nitrene insertions into metal–sulfur bonds of dithiocarbamate complexes: synthesis of sulfido-amido and zwitterionic tetraamido complexes. Dalton Transactions (16) pp. 2688-2695. 10.1039/b503004h.

Hogarth, G.; Richards, I.; (2005) Regioselective and reversible carbon–nitrogen bond formation: synthesis, structure and reactivity of ureato-bridged complexes [Mo2(NAr)2(µ-X){µ-ArNC(O)NAr}(S2CNR2)2](Ar = Ph, p-tol; X = S, NAr; R = Me, Et, Pr). Dalton Transactions (4) pp. 760-773. 10.1039/b417234p.

Hoover, KR; Acree, WE; Abraham, MH; (2005) Chemical toxicity correlations for several fish species based on the Abraham solvation parameter model. Chem Res Toxicol , 18 (9) pp. 1497-1505. 10.1021/tx050164z.

Hughes, G.A.; (2005) Novel, potent antagonists of capsaicin. Doctoral thesis, University of London. Green open access
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I

Ilag, LL; Videler, H; McKay, A; Sobott, F; Fucini, P; Nierhaus, KH; Robinson, CV; (2005) Heptameric (L12)<sub>6</sub>/L10 rather than canonical pentameric complexes are found by tandem MS of intact ribosomes from thermophilic bacteria. Proceedings of the National Academy of Sciences of the United States of America , 102 (23) pp. 8192-8197. 10.1073/pnas.0502193102.

Ingram, CU; Lye, GJ; Dalby, PA; Ward, JM; Bommer, M; Hailes, HC; Smith, MEB; (2005) Multistep biocatalytic pathways in bacteria for the synthesis of amniodiols. In: (Proceedings) Biochemical Engineering Research Network. : Birmingham, UK.

J

Jacques, SDM; Pile, K; Barnes, P; Lai, X; Roberts, KJ; Williams, RA; (2005) An In-Situ Synchrotron X-ray Diffraction Tomography Study of Crystallization and Preferred Crystal Orientation in a Stirred Reactor. Crystal Growth and Design , 5 (2) pp. 395-397. 10.1021/cg0497288.

Jha, S; Coveney, PV; Harvey, MJ; (2005) SPICE: Simulated Pore Interactive Computing Environment. Presented at: Supercomputing 2005.

K

Kearney, D.J.A.; (2005) The biomolecular reactivity of gas phase dications. Doctoral thesis, University of London. Green open access
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Wang, J; Evans, JRG; (2005) London University Search Instrument:a combinatorial robot for high throughput methods in ceramic science. Journal of Combinatorial Chemistry , 7 pp. 665-672.

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Wills, AS; (2005) Application of symmetry to magnetism and its consequences for crystallography. Presented at: UNSPECIFIED.

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Wolthers, M; Charlet, L; Chakraborty, S; Varma, S; Tournassat, C; Chatterjee, D; Roman-Ross, G; (2005) Adsorption and heterogeneous reduction of arsenic at the phyllosilicate-water interface. In: O'Day, PA and Benning, LG and Vlassopoulos D., and Ming, X, (eds.) Advances in Arsenic Research: Integration of Experimental and Observational Studies and Implications for Mitigation. (pp. 41-59).

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Yang, S; Evans, JRG; (2005) UNSPECIFIED Presented at: Conference on Multifunctional and Functionally Graded Materials, Leuven, Belgium, July 11-14th 2004.

Yang, S; Evans, JRG; (2005) Acoustic initiation of powder flow in capillaries. Chemical Engineering and Science , 60 (2) pp. 413-421. 10.1016/j.ces.2004.07.124.

Yang, S; Evans, JRG; (2005) Flow rate of metal powders at reduced and elevated air pressure. Powder Technology , 154 pp. 95-98. 10.1016/j.powtec.2005.04.038.

Yang, S; Evans, JRG; (2005) On the rate of descent of powder in a vibrating capillary. Philosophical Magazine , 85 pp. 1089-1109. 10.1080/14786430512331325598.

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