UCL logo

UCL Discovery

UCL home » Library Services » Electronic resources » UCL Discovery

Browse by UCL Departments and Centres

Up a level
Export as [feed] RSS 2.0 [feed] RSS 1.0 [feed] Atom
Group by: Author | Type
Jump to: A | B | C | D | E | F | G | H | I | J | K | L | M | N | P | R | S | T | U | V | W | Y | Z
Number of items: 392.

A

Abraham, MH (2005) 100 years of chromatography – or is it 171? Journal of Chromatography A , 1061 113 - 114. 10.1016/j.chroma.2004.10.060.

Abraham, MH and Acree, WE (2005) Characterisation of the waater-isopropyl myristate system. International Journal of Pharmaceutics , 294 121 - 128. 10.1016/j.ijpharm.2005.01.028.

Abraham, MH and Al-Hussaini, AJM (2005) Solvation parameters for the 209 PCBs: calculation of physicochemical properties. Journal of Environmental Monitoring , 7 295 - 301. 10.1039/b415899g.

Abraham, MH and Autenrieth, R and Dimitrriou-Christidis, P (2005) The estimation of physicochemical properties of methyl and other alkyl naphthalenes. Journal of Environmental Monitoring , 7 445 - 449. 10.1039/b418293f.

Abraham, MH and Ibrahim, A and Acree, WE (2005) Air-to blood distribution of volatile organic compounds: a linear free energy analysis. Chemical Research in Toxicology , 18 904 - 911. 10.1021/tx050066d.

Abraham, MH and Zhao, YH (2005) Characterisation of the water/o-nitrophenyl octyl ether system in terms of the partition of nonelectrolytes and ions. Physical Chemistry Chemical Physics , 7 2418 - 2422. 10.1039/b502058a.

Akter, H and Deeming, AJ and Hossain, GMG and Kabir, SE and Mondol, DN and Nordlander, E and Sharmin, A and Tocher, DA (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.

Akter, H and Deeming, AJ and Hossain, GMG and Kabir, SE and Mondol, DN and Nordlander, E and Sharmin, A and Tocher, DA (2005) Triphenylphosphine-substituted selenido and sulfido clusters of osmium derived from Ph<sub>3</sub>P=Se or Ph<sub>3</sub>P=S. Journal of Organometallic Chemistry , 690 4628 - 4639.

Akutsu-Sato, A and Kobayashi, A and Mori, T and Akutsu, H and Yamada, J and Nakatsuji, S and Tumer, SS and Day, P and Tocher, DA and Light, ME and Hursthouse, MB (2005) Structures and physical properties of new beta'-BEDT-TTF tris-oxalatometallate(III) salts containing chlorobenzene and halomethane guest molecules. SYNTHETIC METALS , 152 (1-3) 373 - 376. 10.1016/j.synthmet.2005.07.089.

Alfredsson, M and Brodholt, JP and Dobson, DP and Oganov, AR and Catlow, CRA and Parker, SC and Price, GD (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 perovskite. PHYS CHEM MINER , 31 (10) 671 - 682. 10.1007/s00269-004-0429-4.

Alfredsson, M and Brodholt, JP and Wilson, PB and Price, GD and Cora, F and Calleja, A and Bruin, R and Blanshard, LJ and Tyer, RP (2005) Structural and magnetic phase transitions in simple oxides using hybrid functionals. MOL SIMULAT , 31 (5) 367 - 377. 10.1080/08927020500066684.

Alfredsson, M and Cora, F and Brodholt, JP and Parker, SC and Price, GD (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 in the presence of divalent impurity ions. PHYS CHEM MINER , 32 (5-6) 379 - 387. 10.1007/s00269-005-0009-2.

Alfredsson, M and Cora, F and 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) 379 - 387.

Aliev, AE (2005) Solid-state NMR studies of collagen-based parchments and gelatin. BIOPOLYMERS , 77 (4) 230 - 245. 10.1002/bip.20217.

Aliev, AE and Harris, KDM and Champkin, PH (2005) Structural and dynamic aspects of hydrogen-bonded complexes and inclusion compounds containing alpha,omega-dicyanoalkanes and urea, investigated by solid-state C-13 and H-2 NMR techniques. J PHYS CHEM B , 109 (49) 23342 - 23350. 10.1021/jp053849g.

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

Anderson, JC and Blake, AJ and Howell, GP and Wilson, C (2005) Scope and limitations of the nitro-Mannich reaction for the stereoselective synthesis of 1,2-diamines. J ORG CHEM , 70 (2) 549 - 555. 10.1021/jo048304h.

Anderson, JC and Denton, RM and Wilson, C (2005) A biomimetic strategy for the synthesis of the tricyclic dibenzofuran-1,4-dione core of popolohuanone E. ORG LETT , 7 (1) 123 - 125. 10.1021/ol047825a.

Anderson, JC and Ford, JG and Whiting, M (2005) Chirality transfer in the aza-[2,3]-Wittig sigmatropic rearrangement. ORG BIOMOL CHEM , 3 (20) 3734 - 3748. 10.1039/b210756c.

Anderson, JC and Headley, C and Stapleton, PD and Taylor, PW (2005) Asymmetric total synthesis of B-ring modified (-)-epicatechin gallate analogues and their modulation of beta-lactam resistance in Staphylococcus aureus. TETRAHEDRON , 61 (32) 7703 - 7711. 10.1016/j.tet.2005.05.086.

Anderson, JC and Headley, C and Stapleton, PD and Taylor, PW (2005) Synthesis and antibacterial activity of hydrolytically stable (-)-epicatechin gallate analogues for the modulation of beta-lactam resistance in Staphylococcus aureus. BIOORG MED CHEM LETT , 15 (10) 2633 - 2635. 10.1016/j.bmcl.2005.03.063.

Anderson, JC and Howell, GP and Lawrence, RM and Wilson, CS (2005) An asymmetric nitro-Mannich reaction applicable to alkyl, aryl, and heterocyclic imines. J ORG CHEM , 70 (14) 5665 - 5670. 10.1021/jo050762i.

Anderson, JC and O'Loughlina, JMA and Tornos, JA (2005) Asymmetric aza-[2,3]-Wittig sigmatropic rearrangements: chiral auxiliary control and formal asymmetric synthesis of (2S, 3R, 4R)-4-hydroxy-3-methylproline and (-)-kainic acid. ORG BIOMOL CHEM , 3 (15) 2741 - 2749. 10.1039/b506198a.

Anderson, JC and Osborne, J (2005) The synthesis of new planar chiral heterobidentate chelate ligands for asymmetric catalysis. TETRAHEDRON-ASYMMETR , 16 (5) 931 - 934. 10.1016/j.tetasy.2005.01.026.

Angell, CA and Mcmillan, PF and Oganov, AR and Wolynes, PG (2005) Energy landscapes for cooperative processes: Nearly ideal glass transitions, liquid-liquid transitions and folding transitions. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 363 (1827) 415 - 432.

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

Arranz, M and Perez-Pariente, J and Wright, PA and Slawin, AMZ and Blasco, T and Gomez-Hortiguela, L and Cora, F (2005) Cooperative structure-directing effect of fluorine-containing organic molecules and fluoride anions in the synthesis of zeolites. CHEM MATER , 17 (17) 4374 - 4385. 10.1021/cm050971j.

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

Astier, Y and Bayley, H and Howorka, S (2005) Protein components for nanodevices. CURR OPIN CHEM BIOL , 9 (6) 576 - 584. 10.1016/j.cbpa.2005.10.012.

Austen, KF and Wright, K and Slater, B and Gale, JD (2005) The interaction of dolomite surfaces with metal impurities: a computer simulation study. PHYS CHEM CHEM PHYS , 7 (24) 4150 - 4156.

Avent, AG and Crimmin, MR and Hill, MS and Hitchcock, PB (2005) Dimerization of beta-diketiminato calcium complexes through dihapto-acetylide ligation. ORGANOMETALLICS , 24 (6) 1184 - 1188. 10.1021/om0490334.

Avent, AG and Crimmin, MR and Hill, MS and 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

Bianchi, CL and Canton, P and Dimitratos, N and Porta, F and Prati, L (2005) Selective oxidation of glycerol with oxygen using mono and bimetallic catalysts based on Au, Pd and Pt metals. In: CATALYSIS TODAY. (pp. 203 - 212). ELSEVIER SCIENCE BV

Bala, K and 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. and Coldea, A.I. and Singleton, J. and Ardavan, A. and Akutsu-Sato, A. and Akutsu, H. and Turner, S.S. and Day, P. and Yamamoto, T. and Yakushi, K. (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.

Banks, ST and Bramwell, ST (2005) Temperature-dependent fluctuations in the two-dimensional XY model. J PHYS A-MATH GEN , 38 (25) 5603 - 5615. 10.1088/0305-4470/38/25/001.

Barnett, SA and Hulme, AT and Tocher, DA (2005) A low-temperature redetermination of metaldehyde. ACTA CRYSTALLOGR E , 61 O857 - O859. 10.1107/S1600536805006306.
An open access publication

Battaglia, G and Ryan, AJ (2005) Bilayers and interdigitation in block copolymer vesicles. J Am Chem Soc , 127 (24) 8757 - 8764. 10.1021/ja050742y.

Battaglia, G and Ryan, AJ (2005) Morphology and formation of interdigitated membrane polymeric vesicles from polyethylene oxide polybutylene oxide diblock, aba, and bab triblocks copolymers. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. U916 - U916).

Battaglia, G and Ryan, AJ (2005) The evolution of vesicles from bulk lamellar gels. Nat Mater , 4 (11) 869 - 876.

Beale, AM and Le, MT and Hoste, S and Sankar, G (2005) A time resolved in situ investigation into the formation of bismuth molybdate catalysts prepared by spray-dried methods. SOLID STATE SCI , 7 (10) 1141 - 1148. 10.1016/j.solidstatesciences.2005.05.003.

Beale, AM and Sankar, G and Catlow, CRA and Anderson, PA and 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 and Sankar, G and Nicholson, DG and van Beek, W (2005) In situ study of the crystallisation of nano-sized zinc and cobalt aluminate spinel catalysts from ion-exchanged zeolite precursors. PHYS SCRIPTA , T115 678 - 680.

Beck, TJ and Klust, A and Batzill, M and Diebold, U and Di Valentin, C and Tilocca, A and Selloni, A (2005) Mixed dissociated/molecular monolayer of water on the TiO2(011)-(2 x 1) surface. SURF SCI , 591 (1-3) L267 - L272. 10.1016/j.susc.2005.06.021.

Begis, G and Sheppard, TD and Cladingboel, DE and Motherwell, WB and Tocher, DA (2005) Systhesis of enantiopure aminocyclopropanes by diastereoselective addition of chiral amino substituted organozinc carbenoid to alkenes. SYNTHESIS-STUTTGART (19) 3186 - 3188. 10.1055/s-2005-918469.

Behrendt, JM and Bala, K and Golding, P and Hailes, HC (2005) Oxetane synthesis via cyclisation of aryl sulfonate esters on polystyrene and PEG polymeric supports. TETRAHEDRON LETT , 46 (4) 643 - 645. 10.1016/j.tetlet.2004.11.138.

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

Blackman, CS and 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 and Alfredsson, M and Brodholt, J and Price, GD and Wright, K and 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.

Bleau, JE and Carmalt, CJ and O'Neill, SA and Parkin, IP and White, AJP and Williams, DJ (2005) Molecular precursors for the CVD of niobium and tantalum nitride. POLYHEDRON , 24 (3) 463 - 468. 10.1016/j.poly.2004.12.006.

Bloom, JD and Meinhold, P and Meyer, MM and Otey, CR and Macmillan, D and Arnold, FH (2005) Evolving Strategies for Enzyme Engineering. Curr. Opin Struct. Biol. , 15 447 - 452. 10.1016/j.sbi.2005.06.004.

Boakes, G and Mok, WHH and Rowley, DM (2005) Kinetic studies of the CIO plus CIO association reaction as a function of temperature and pressure. PHYS CHEM CHEM PHYS , 7 (24) 4102 - 4113.

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

Boghosian, BM and Coveney, PV (2005) Scientific applications of grid computing, Part II. COMPUT SCI ENG , 7 (6) 10 - 11.

Boleat, ED and Fielding, HH (2005) Optical control of the quantum-state distribution of vibrational wave packets using trains of phase-locked pulses. MOL PHYS , 103 (4) 491 - 499. 10.1080/00268970512331316049.

Bolina, A.S. and Wolff, A.J. and 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 and 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 and Wolff, AJ and 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.

Bolina, AS and Wolff, AJ and Brown, WA (2005) Reflection absorption infrared spectroscopy and temperature-programmed desorption studies of the adsorption and desorption of amorphous and crystalline water on a graphite surface. J PHYS CHEM B , 109 (35) 16836 - 16845. 10.1021/jp0528111.

Bowker, M and Stone, P and Morrall, P and Smith, R and Bennett, R and Perkins, N and Kvon, R and Pang, C and Fourre, E and Hall, M (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 and Gervasio, FL and Cavalli, A and Recanatini, M and 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) 9147 - 9155.

Branduardi, D and Gervasio, FL and Cavalli, A and Recanatini, M and Parrinello, M (2005) The role of the peripheral anionic site and cation-pi interactions in the ligand penetration of the human AChE gorge. J Am Chem Soc , 127 (25) 9147 - 9155. 10.1021/ja0512780.

Branford, WR and Husmann, A and Solin, SA and Clowes, SK and Zhang, T and Bugoslavsky, YV and Cohen, LF (2005) Geometric manipulation of the high-field linear magnetoresistance in InSb epilayers on GaAs .001. Applied Physics Letters , 86 202116 - ?.

Bregant, S and Tabor, AB (2005) Orthogonally protected lanthionines: Synthesis and use for the solid-phase synthesis of an analogue of nisin ring C. J ORG CHEM , 70 (7) 2430 - 2438. 10.1021/jo048222t.

Broadley, S and Gal, ZA and Cora, F and Smura, CF and Clarke, SJ (2005) Vertex-linked ZnO2S2 tetrahedra in the oxysulfide BaZnOS: a new coordination environment for zinc in a condensed solid. INORG CHEM , 44 (24) 9092 - 9096. 10.1021/ic051240o.

Brunsteiner, M and Jones, AG and Pratola, F and Price, SL and Simons, SJR (2005) Toward a molecular understanding of crystal agglomeration. CRYST GROWTH DES , 5 (1) 3 - 16. 10.1021/cg049837m.

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

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

Burgio, L and Clark, RJH and Sheldon, ES and Smith, GD (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 1261 - 1267. 10.1021/ac04848li.

Burgio, L. and Clark, R.J.H. and Sheldon, L. and 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.

C

Caddick, S and Wilden, JD and Judd, DB (2005) Observations on the reactivity of pentafluorophenyl sulfonate esters. CHEM COMMUN (21) 2727 - 2728. 10.1039/b501212k.

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

Carley, RE and Boleat, ED and Minns, RS and Patel, R and Fielding, HH (2005) Interfering Rydberg wave packets in Na. J PHYS B-AT MOL OPT , 38 (12) 1907 - 1922. 10.1088/0953-4075/38/12/007.

Carley, RE and Heesel, E and Fielding, HH (2005) Femtosecond lasers in gas phase chemistry. CHEM SOC REV , 34 (11) 949 - 969. 10.1039/b509463a.

Carmalt, CJ (2005) Main Group Carbenes. In: Atwood, DA, (ed.) Encyclopedia of Inorganic Chemistry. Wiley

Carmalt, CJ and Newport, AC and O'Neill, SA and Parkin, IP and White, AJP and 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 and Peters, ES and Parkin, IP and Tocher, DA (2005) Reactivity of tetrakisdimethylamido-titanium(IV) and -zirconium(IV) with thiols. NEW J CHEM , 29 (4) 620 - 624. 10.1039/b413060j.

Casely, IC and Crimmin, MR and Hill, MS and Pongtavornpinyo, R (2005) A monopoly on new chemistry? "Passing Go" with beta-diketiminate ligands. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. U2115 - U2115). AMER CHEMICAL SOC

Catlow, C.R.A. and French, S.A. and Sokol, A.A. and 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.

Catlow, CRA and French, SA and Sokol, AA and Thomas, JM (2005) Computational approaches to the determination of active site structures and reaction mechanisms in heterogeneous catalysts. PHILOS T R SOC A , 363 (1829) 913 - 936. 10.1098/rsta.2004.1529.

Catlow, CRA and Poole, PH and Wolynes, PG and Finney, JL (2005) Simulated silica - Discussion. PHILOS T R SOC A , 363 (1827) 534 - 535.

Catlow, R and Bell, R and Cora, F and French, SA and Slater, B and Sokol, A (2005) Computer modelling of inorganic materials. Annual Reports on the Progress of Chemistry - Section A , 101 513 - 547.

Caumul, P and Hailes, HC (2005) Baylis-Hillman reactions in aqueous acidic media. TETRAHEDRON LETT , 46 (47) 8125 - 8127. 10.1016/j.tetlet.2005.09.130.

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

Chain, BM and Free, P and Medd, P and Swetman, C and Tabor, AB and Terrazzini, N (2005) The expression and function of cathepsin E in dendritic cells. J IMMUNOL , 174 (4) 1791 - 1800.

Chaplin, TD and Clark, RJH and Jacobs, D and Jensen, K and Smith, GD (2005) The Gutenberg Bibles: Analysis of the Illuminations and Inks using Raman Spectroscopy. Analytical Chemistry , 77 3611 - 3622.

Charlton, AK and Daniels, CR and Wold, RM and Pustejovsky, E and Acree, WE and Abraham, MH (2005) Solubility of crystalline nonelectrolyte solutes in organic solvents: mathematical correlation of 3-nitrobenzoic acid solubilities in organic solvents with the Abraham general solvation model. Journal of Molecular Liquids , 116 19 - 28. 10.1016/j.molliq.2004.06.001.

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

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

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

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

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

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

Chin, J and Harvey, MJ and Jha, ST and Coveney, PV (2005) Scientific grid computing: The first generation. COMPUT SCI ENG , 7 (5) 24 - 32.

Chiu, ME and Slater, B and Gale, JD (2005) Simulating the dissolution and growth of zeolite beta C. ANGEW CHEM INT EDIT , 44 (8) 1213 - 1217. 10.1002/anie.200461545.

Civici, N and Demko, O and Clark, RJH (2005) Identification of pigments used on late 17th century Albanian icons by total reflection X-ray fluorescence and Raman microscopy. Journal of Cultural Heritage , 6 157 - 164.

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. (162 - 185). National Academies Press: Washington D.C..

Clark, RJH and Foley, LJ (2005) A matrix isolation study of the photochemically induced reactions of nitrogen dioxide with 1,2-dibromoethene and 1,2-dichlorethene using Fourier transform infrared spectroscopy. Spectrochimica Acta Part A , 61 1389 - 1393.

Cobb, AJA and 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 1269 - 1279.

Coldea, AI and Bangura, AF and Singleton, J and Ardavan, A and Akutsu-Sato, A and Akutsu, H and Turner, SS and Day, P and Yamamoto, T and Yakushi, K (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 and Barnes, P and Jupe, AC and Jacques, SDM and Hall, C and Livesey, P and Dransfield, J and Meller, N and Maitland, G (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) 2223 - 2232.

Cometto-Muniz, JE and Cain, WS and Abraham, MH (2005) Determinants for nasal trigeminal detection of volatile organic compounds. Chemical Senses , 30 627 - 642. 10.1093/chemse/bji056.

Cometto-Muniz, JE and Cain, WS and Abraham, MH (2005) Molecular restrictions for human eye irritation by chemical vapors. Toxicology and Applied Pharmacology , 207 232 - 243. 10.1016/j.taap.2005.02.004.

Coombes, DS and Catlow, CRA and Gale, JD and Rohl, AL and Price, SL (2005) Calculation of attachment energies and relative volume growth rates as an aid to polymorph prediction. CRYST GROWTH DES , 5 (3) 879 - 885. 10.1021/cg049707d.

Copley, RCB and Deprez, LS and Lewis, TC and Price, SL (2005) Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil - an informal blind test. CRYSTENGCOMM , 7 421 - 428. 10.1039/b504756k.

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

Coveney, PV (2005) Accelerating the calculation of differences in free energies of binding using a computational grid. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. U588 - U589). AMER CHEMICAL SOC

Coveney, PV (2005) Reducing the bottle-necks in large-scale simulation of materials systems: High performance computing, multi-scale techniques and the grid. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. U881 - U881). AMER CHEMICAL SOC

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

Coveney, PV (2005) Scientific Grid computing. PHILOS T R SOC A , 363 (1833) 1707 - 1713. 10.1098/rsta.2005.1632.

Coveney, PV and Fowler, PW (2005) Modelling biological complexity: a physical scientist's perspective. J R SOC INTERFACE , 2 (4) 267 - 280. 10.1098/rsif.2005.0045.

Coveney, PV and Vicary, J and Chin, J and Harvey, M (2005) WEDS: a Web services-based environment for distributed simulation. PHILOS T R SOC A , 363 (1833) 1807 - 1816. 10.1098/rsta.2005.1608.

Crimmin, MR and Casely, IJ and Hill, MS (2005) Calcium-mediated intramolecular hydroamination catalysis. J AM CHEM SOC , 127 (7) 2042 - 2043. 10.1021/ja043576n.

Cross, WB and Parkin, IP and White, AJP and Williams, DJ (2005) Synthesis and characterisation of tungsten(VI) oxo-salicylate complexes for use in the chemical vapour deposition of self-cleaning films. DALTON T (7) 1287 - 1293. 10.1039/b419235d.

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

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

Cyganik, P. and Buck, M. and Wilton-Ely, J. D. E. T. and 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

Dimitratos, N and Porta, F and Prati, L (2005) Au, Pd (mono and bimetallic) catalysts supported on graphite using the immobilisation method - Synthesis and catalytic testing for liquid phase oxidation of glycerol. APPL CATAL A-GEN , 291 (1-2) 210 - 214. 10.1016/j.apcata.2005.01.044.

Dimitratos, N and Prati, L (2005) Gold based bimetallic catalysts for liquid phase applications. GOLD BULL , 38 (2) 73 - 77.
An open access publication

Dimitratos, N and Porta, F and Prati, L and Villa, A (2005) Synergetic effect of platinum or palladium on gold catalyst in the selective oxidation of D-sorbitol. CATAL LETT , 99 (3-4) 181 - 185. 10.1007/s10562-005-2114-8.

Danopoulos, AA and Wright, JA and Motherwell, WB (2005) Molecular N-2 complexes of iron stabilised by N-heterocyclic 'pincer' dicarbene ligands. CHEM COMMUN (6) 784 - 786. 10.1039/b415562a.

Darr, JA and Kellici, S and Rehman, IU (2005) Titania nanospheres from supercritical fluids. 109 - 111.

Day, GM and Motherwell, WDS and Ammon, HL and Boerrigter, SXM and Della Valle, RG and Venuti, E and Dzyabchenko, A and Dunitz, JD and Schweizer, B and van Eijck, BP and Erk, P and Facelli, JC and Bazterra, VE and Ferraro, MB and Hofmann, DWM and Leusen, FJJ and Liang, C and Pantelides, CC and Karamertzanis, PG and Price, SL and Lewis, TC and Nowell, H and Torrisi, A and Scheraga, HA and Arnautova, YA and Schmidt, MU and Verwer, P (2005) A third blind test of crystal structure prediction. ACTA CRYSTALLOGR B , 61 511 - 527. 10.1107/S0108768105016563.

de Leeuw, NH and Dove, AT (2005) eMinerals: an e-science project for modelling the environment from the molecular level. MOL SIMULAT , 31 (5) 295 - 295. 10.1080/089270205000066122.

De Leeuw, NH and Du, Z (2005) The effect of the sizes of alkali cations on structural variations in layered silicate materials. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A510 - A510). PERGAMON-ELSEVIER SCIENCE LTD

de Leeuw, NH and Mkhonto, D (2005) The effect of the nature of silica substrate surfaces on the adhesion of apatite thin films. J MATER CHEM , 15 (32) 3272 - 3277. 10.1039/b506209h.

Delgado-Buscalioni, R and Coveney, PV and Riley, GD and Ford, RW (2005) Hybrid molecular-continuum fluid models: implementation within a general coupling framework. PHILOS T R SOC A , 363 (1833) 1975 - 1985. 10.1098/rsta.2005.1623.

Delgado-Buscalioni, R and De Fabritiis, G and Coveney, PV (2005) Determination of the chemical potential using energy-biased sampling. J CHEM PHYS , 123 (5) , Article 054105. 10.1063/1.2000244.

Delgado-Buscalioni, R and Flekkoy, EG and Coveney, PV (2005) Fluctuations and continuity in particle-continuum hybrid simulations of unsteady flows based on flux-exchange. EUROPHYS LETT , 69 (6) 959 - 965. 10.1209/epl/i2004-10431-y.

Demetriou, DZ and Catlow, CRA and Chadwick, A and McIntyre, GJ and Abrahams, I (2005) The anion disorder in the perovskite fluoride KCaF3. SOLID STATE IONICS , 176 (17-18) 1571 - 1575. 10.1016/j.ssi.2005.04.041.

Di Valentin, C and Tilocca, A and Selloni, A and Beck, TJ and Klust, A and Batzill, M and Losovyj, Y and Diebold, U (2005) Adsorption of water on reconstructed rutile TiO2(011)-(2x1): Ti=O double bonds and surface reactivity. J AM CHEM SOC , 127 (27) 9895 - 9903. 10.1021/ja0511624.

Dimopoulos, P and Athlan, A and Manaviazar, S and George, J and Walters, M and Lazarides, L and Aliev, AE and Hale, KJ (2005) O-directed free-radical hydrostannations of propargyl ethers, acetals, and alcohols with Ph3SnH and Et3B. ORG LETT , 7 (24) 5369 - 5372. 10.1021/ol051936l.

Dimopoulos, P and George, J and Tocher, DA and Manaviazar, S and Hale, KJ (2005) Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes. ORG LETT , 7 (24) 5377 - 5380. 10.1021/ol051937d.

Dimpoulos, P and Athlan, A and Manaviazar, S and Hale, KJ (2005) On the Stereospecific Conversion of Proximally Oxygenated Trisubstituted Vinylstannanes into Stereodefined Trisubstituted Alkenes. ORGANIC LETTERS , 7 5373 - 5376.

Dispenza, C and Battaglia, G and Giammona, G and Licciardi, M and Spadaro, G (2005) 'Radiation synthesis of polyaspartamide functionalised hydrogels for sustained release of fragrances. COLLOID AND POLYMER SCIENCE , 284 (2) 151 - 159. 10.1007/s00396-005-1351-0.

Dixon, DJ and Ley, SV and Lohmann, S and 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) 481 - 484.

Dove, MT and de Leeuw, NH (2005) Grid computing and molecular simulations: the vision of the eMinerals project. MOL SIMULAT , 31 (5) 297 - 301. 10.1080/089270205000065801.

Draper, ERC and Morris, MD and Camacho, NP and Matousek, P and Towrie, M and Parker, AW and Goodship, AE (2005) Novel assessment of bone using time-resolved transcutaneous Raman spectroscopy. J BONE MINER RES , 20 (11) 1968 - 1972. 10.1359/JBMR.050710.

Du, Z and De Leeuw, NH (2005) Hydration and dissolution of nano-particulate silicate surfaces. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A489 - A489). PERGAMON-ELSEVIER SCIENCE LTD

Du, Z and de Leeuw, NH and Grau-Crespo, R and Wilson, PB and Brodholt, JP and Calleja, M and Dove, MT (2005) A computational study of the the structures and stabilities effect of Li-K solid solutions on of layered silicate materials - an application of the use of Condor pools in molecular simulation. MOL SIMULAT , 31 (5) 339 - 347. 10.1080/08927020500067013.

Du, ZM and de Leeuw, NH (2005) The size effect of alkali ions on structural variations in layered silicate materials. J MATER CHEM , 15 (38) 4167 - 4178. 10.1039/b504709a.

E

Edwards, MB and Draper, ER and Hand, JW and Taylor, KM and Young, IR (2005) Mechanical testing of human cardiac tissue: some implications for MRI safety. Journal of Cardiovascular Magnetic Resonance , 7 (5) 835 - 840.
An open access publication

Elgayar, I and Aliev, AE and Boccaccini, AR and 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 and Butchart, B and Chen, L and Wassermann, B and Price, SL (2005) Grid Service Orchestration using the Business Process Execution Language (BPEL). UCL-CS Research Note RN/05/07: London, UK.

F

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

Fielding, HH (2005) Rydberg wavepackets in molecules: From observation to control. ANNU REV PHYS CHEM , 56 91 - 117. 10.1146/annurev.physchem.55.091602.094428.

Finney, JL and Bowron, DT (2005) Experimental configurational landscapes in aqueous solutions. PHILOS T R SOC A , 363 (1827) 469 - 490. 10.1098/rspa.2004.1503.

Flanagan, KB and Acree, JWE and Abraham, MH (2005) Comments regarding “predicting the equilibrium partitioning of organic compounds using just one linear solvation equation relationship (LSER)”. Fluid Phase Equilibria , 237 224 - 226. 10.1016/j.fluid.2005.08.003.

Flekkoy, EG and Delgado-Buscalioni, R and Coveney, PV (2005) Flux boundary conditions in particle simulations. PHYS REV E , 72 (2) , Article 026703. 10.1103/PhysRevE.72.026703.

Fowler, PW and Jha, S and Coveney, PV (2005) Grid-based steered thermodynamic integration accelerates the calculation of binding free energies. PHILOS T R SOC A , 363 (1833) 1999 - 2015. 10.1098/rsta.2005.1625.

Freiria, M and Whitehead, AJ and 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

Grottesi, A and Domene, C and Hall, B and Sansom, MS (2005) Conformational dynamics of M2 helices in KirBac channels: helix flexibility in relation to gating via molecular dynamics simulations. Biochemistry , 44 (44) 14586 - 14594. 10.1021/bi0510429.

Ganellin, CR and Bishop, PB and Bambal, RB and Chan, SMT and Leblond, B and Moore, ANJ and Zhao, L and Bourgeat, P and Rose C, V and F, S and J-C, (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 7333 - 7342.

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

Gervasio, FL and Laio, A and Parrinello, M (2005) Flexible docking in solution using metadynamics. J Am Chem Soc , 127 (8) 2600 - 2607. 10.1021/ja0445950.

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

Gervasio, FL and Laio, A and Parrinello, M and Boero, M (2005) Charge localization in DNA fibers. Phys Rev Lett , 94 (15) 158103 - ?.

Ghioni, C and Hiller, JC and Kennedy, CJ and Aliev, AE and Odlyha, M and Boulton, M and Wess, TJ (2005) Evidence of a distinct lipid fraction in historical parchments: a potential role in degradation? J LIPID RES , 46 (12) 2726 - 2734. 10.1194/jlr.M500331-JLR200.
An open access publication

Giordanetto, F and Fowler, PW and Saqi, M and Coveney, PV (2005) Large scale molecular dynamics simulation of native and mutant dihydropteroate synthase-sulphanilamide complexes suggests the molecular basis for dihydropteroate synthase drug resistance. PHILOS T R SOC A , 363 (1833) 2055 - 2073. 10.1098/rsta.2005.1629.

Glans, PA and Learmonth, T and Smith, KE and Guo, J and Walsh, A and Watson, GW and Terzi, F and Egdell, RG (2005) Experimental and theoretical study of the electronic structure of HgO and Tl2O3. PHYS REV B , 71 (23) , Article 235109. 10.1103/PhysRevB.71.235109.

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

Gomez-Hortiguela, L and Cora, F and Catlow, CRA and Blasco, T and 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 , 158 327 - 334.

Gomez-Hortiguela, L and Cora, F and Catlow, CRA and Blasco, T and Perez-Pariente, J (2005) Fluorinated dibenzyldimethylammonium as structure directing agent for the synthesis of AIPO and SAPO-5. Effect of fluorine. In: Cejka, J and Zilkova, N and Nachtigall, P, (eds.) MOLECULAR SIEVES: FROM BASIC RESEARCH TO INDUSTRIAL APPLICATIONS, PTS A AND B. (pp. 327 - 334). ELSEVIER SCIENCE BV

Gomez-Hortiguela, L and Perez-Pariente, J and Cora, F and Catlow, CRA and 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.

Gong, K and Viboonkiat, R and Rehman, IU and Buckton, G and Darr, JA (2005) Formation and characterization of porous indomethacin-PVP coprecipitates prepared using solvent-free supercritical fluid processing. Journal of Pharmaceutical Sciences , 94 (12) 2583 - 2590.

Gonzalez-Outeirino, J and Nasser, R and 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) 2486 - 2493.

Goodacre, CJ and Bromidge, SM and Clapham, D and King, FD and Lovell, PJ and Allen, M and Campbell, LP and Holland, V and Riley, GJ and Starr, KR and Trail, BK and Wood, MD (2005) A series of bisaryl imidazolidin-2-ones has shown to be selective and orally active 5-HT2C receptor antagonists. Bioorg Med Chem Lett , 15 (22) 4989 - 4993. 10.1016/j.bmcl.2005.08.004.

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

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

Grau-Crespo, R and de Moreira, IPR and Illas, F and de Leeuw, NH and 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 and Harvey, MJ and Boulet, P and Bowden, AA and Coveney, PV and Whiting, A (2005) Interlayer structure and bonding in nonswelling primary amine intercalated clays. MACROMOLECULES , 38 (14) 6189 - 6200. 10.1021/ma0503817.

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

H

Haider, S and Grottesi, A and Hall, BA and Ashcroft, FM and 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) 3310 - 3320. 10.1529/biophysj.104.052019.

Hailes, HC and Smith, MEB and Smithies, K and Dalby, PA and Ward, JM and 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 and Tabor, AB and Wong, JB and Pilkington-Miksa, M and Hart, SL and Hurley, CA (2005) Preparation of Quaternary Ammonium Lipids and their Complexation with Peptides for Delivery to Cells. 20050245446.

Hale, KJ and Domostoj, MM and El-Tanani, M and Campbell, FC and 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. (352 - 394). Elsevier

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

Hamad, S and Catlow, CRA and Woodley, SM and Lago, S and Mejias, JA (2005) Structure and stability of small TiO2 nanoparticles. J PHYS CHEM B , 109 (33) 15741 - 15748. 10.1021/jp0521914.

Hamad, S and Cristol, S and 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. and Cristol, S. and 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.

Harting, J and Chin, J and Venturoli, M and 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) 1895 - 1915. 10.1098/rsta.2005.1618.

Harting, J and Harvey, MJ and Chin, J and Coveney, PV (2005) Detection and tracking of defects in the gyroid mesophase. COMPUT PHYS COMMUN , 165 (2) 97 - 109. 10.1016/j.cpc.2004.10.001.

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

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

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

Hibbert, EG and Baganz, F and Hailes, HC and Ward, JM and Lye, GJ and Woodley, JM and Dalby, PA (2005) Directed evolution of biocatalytic processes. BIOMOL ENG , 22 (1-3) 11 - 19. 10.1016/j.bioeng.2004.09.003.

Hill, AF and Tocher, DA and White, AJP and Williams, DJ and Wilton-Ely, JDET (2005) Thiocarbamoyl complexes of ruthenium(II), rhodium(III), and iridium(III). ORGANOMETALLICS , 24 (22) 5342 - 5355. 10.1021/om050514c.

Hilton, ST and Motherwell, WB and Potier, P and Pradet, C and Selwood, DL (2005) Observations on the reactivity of thiyl radicals derived from 3,6-epidithiodiketopiperazine-2,5-diones and related congeners. BIOORG MED CHEM LETT , 15 (9) 2239 - 2242. 10.1016/j.bmcl.2005.03.022.

Hogarth, G (2005) Transition Metal Dithiocarbamates: 1978-2003. PROG INORG CHEM , 53 71 - 561.

Hogarth, G and Alvarez-Falcon, MM (2005) Gold(I) alkynyl complexes derived from ethynylanilines: crystal structure of [Au(C C-4-C6H4NH2){P(3-tolyl)3}] a polymer in the solid state via NH center dot center dot center dot Au contacts. INORG CHIM ACTA , 358 (5) 1386 - 1392. 10.1016/j.ica.2004.06.068.

Hogarth, G and 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 1386 - 1392.

Hogarth, G and Holman, KT and Pateman, A and Sella, A and Steed, JW and Richards, I (2005) Multiple nitrene insertions into metal-sulfur bonds of dithiocarbamate complexes: synthesis of sulfido-amido and zwitterionic tetraamido complexes. DALTON T (16) 2688 - 2695. 10.1039/b503004h.

Hogarth, G and Richards, I (2005) Crystal and molecular structures of syn and anti isomers of [MoO(mu-NAr)(S2CNR2)](2) (R=Et, Pr ; Ar = Ph, p-tolyl). INORG CHIM ACTA , 358 (3) 707 - 712. 10.1016/j.ica.2004.09.022.

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

Hogarth, G. and Holman, K.T. and Pateman, A. and Sella, A. and Steed, J.W. and 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. and 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.

Holt, KB and Bard, AJ (2005) Interaction of silver(I) ions with the respiratory chain of Escherichia coli: an electrochemical and scanning electrochemical microscopy study of the antimicrobial mechanism of micromolar Ag+. Biochemistry , 44 (39) 13214 - 13223. 10.1021/bi0508542.

Hoover, KC and Acree, WE and Abraham, MH (2005) Chemical toxicity correlations for several fish species based on the Abraham solvation parameter model. Chemical Research in Toxicology , 18 1497 - 1505. 10.1021/tx050164z.

Hoover, KR and Acree, WE and Abraham, MH (2005) Correlation of the solubility behavior of crystalline 1-nitronaphthalene in organic solvents with the Abraham solvation parameter model. Journal of Solution Chemistry , 34 1121 - 1133. 10.1007/s10953-005-7691-2.

Hoover, KR and Pop, K and Acree, WE and Abraham, MH (2005) Solubility of crystalline nonelectrolyte solutes in organic solvents: mathematical correlation of 3-chlorobenzoic acid solubilities with the Abraham solvation parameter model. South African Journal of Chemistry , 58 25 - 29.

Hu, WP and Harper, SM and Price, SD (2005) The dynamics and kinematics of the electron transfer reactions of CF32+ with Ar. MOL PHYS , 103 (13) 1809 - 1819. 10.1080/00268970544798.

Hulme, AT and Price, SL and Tocher, DA (2005) A new polymorph of 5-fluorouracil found following computational crystal structure predictions. J AM CHEM SOC , 127 (4) 1116 - 1117. 10.1021/ja044336a.

Hulme, AT and Tocher, DA (2005) 4-amino-5-fluoropyrimidin-2(1H)-one-2-amino-5-fluoropyrimidin-4(3H)-one-water (1/1/1). ACTA CRYSTALLOGR E , 61 O2112 - O2113. 10.1107/S1600536805018179.
An open access publication

Hulme, AT and Tocher, DA (2005) 5-fluorouracil-2,2,2-trifluoroethanol (1/1). ACTA CRYSTALLOGR E , 61 O3661 - O3663. 10.1107/S1600536805032198.
An open access publication

I

Ilag, LL and Videler, H and McKay, A and Sobott, F and Fucini, P and Nierhaus, KH and 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) 8192 - 8197. 10.1073/pnas.0502193102.

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

Ioannou, M and Porter, MJ and Saez, F (2005) Conversion of 1,3-oxathiolanes to 1,4-oxathianes using a silylated diazoester. TETRAHEDRON , 61 (1) 43 - 50. 10.1016/j.tet.2004.10.063.

J

Jacques, SDM and Pile, K and Barnes, P and Lai, X and Roberts, KJ and 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) 395 - 397. 10.1021/cg0497288.

Jha, S and Coveney, PV and Harvey, MJ (2005) SPICE: Simulated Pore Interactive Computing Environment. In: Proceedings of the ACM/IEEE SC 2005 Conference.

Jha, S and Coveney, PV and Laughton, CA (2005) Force field validation for nucleic acid simulations: Comparing energies and dynamics of a DNA dodecamer. J COMPUT CHEM , 26 (15) 1617 - 1627. 10.1002/jcc.20300.

K

Klotz, S and Strassle, T and Salzmann, CG and Philippe, J and Parker, SF (2005) Incoherent inelastic neutron scattering measurements on ice VII: Are there two kinds of hydrogen bonds in ice? EUROPHYS LETT , 72 (4) 576 - 582. 10.1209/epl/i2005-10270-4.

Kalawsky, RS and Nee, SP and Holmes, I and Coveney, PV (2005) A grid-enabled lightweight computational steering client: a .NET PDA implementation. PHILOS T R SOC A , 363 (1833) 1885 - 1894. 10.1098/rsta.2005.1617.

Kalawsky, RS and O'Brien, J and Coveney, PV (2005) Improving scientists' interaction with complex computational-visualization environments based on a distributed grid infrastructure. PHILOS T R SOC A , 363 (1833) 1867 - 1884. 10.1098/rsta.2005.1616.

Karamertzanis, PG and Price, SL (2005) Challenges of crystal structure prediction of diastereomeric salt pairs. J PHYS CHEM B , 109 (36) 17134 - 17150. 10.1021/jp052465n.

Kern, OT and Motherwell, WB (2005) A novel isocyanide based three component reaction (pg 2988, 2003). CHEM COMMUN (13) 1787 - 1787.

Klinowski, J and Paz, FAA and Bell, RG (2005) All possible permutations. Chemistry and Industry (17) 24 - ?.

L

Lafitte, VG and Aliev, AE and Hailes, HC and Bala, K and Golding, P (2005) Ureidopyrimidinones incorporating a functionalizable p-aminophenyl electron-donating group at C-6. J Org Chem , 70 (7) 2701 - 2707. 10.1021/jo048223l.

Lafitte, VGH and Aliev, AE and Hailes, HC and Bala, K and Golding, P (2005) Ureidopyrimidinones incorporating a functionalizable p-aminophenyl electron-donating group at C-6. J ORG CHEM , 70 (7) 2701 - 2707. 10.1021/jo482231.

Laio, A and Rodriguez-Fortea, A and Gervasio, FL and Ceccarelli, M and Parrinello, M (2005) Assessing the accuracy of metadynamics. J Phys Chem B , 109 (14) 6714 - 6721. 10.1021/jp045424k.

Lewis, TC and Tocher, DA (2005) A low-temperature determination of butyramide. ACTA CRYSTALLOGR E , 61 O1985 - O1986. 10.1107/S1600536805017022.
An open access publication

Lewis, TC and Tocher, DA (2005) A low-temperature determination of triethylene-diaminium dichloride dihydrate. ACTA CRYSTALLOGR E , 61 O2202 - O2204. 10.1107/S1600536805019124.
An open access publication

Lewis, TC and Tocher, DA (2005) Redetermination of adeninium dichloride: the question of centrosymmetry. ACTA CRYSTALLOGR E , 61 O1052 - O1054. 10.1107/S1600536805007993.
An open access publication

Lewis, TC and Tocher, DA (2005) Redetermination of guaninium chloride dihydrate. ACTA CRYSTALLOGR E , 61 O1023 - O1025. 10.1107/S160053680500752X.
An open access publication

Lewis, TC and Tocher, DA and Price, SL (2005) Investigating unused hydrogen bond acceptors using known and hypothetical crystal polymorphism. CRYST GROWTH DES , 5 (3) 983 - 993. 10.1021/cg049661o.

Ley, SV and Dixon, DJ and Guy, RT and Rodriguez, F and Sheppard, TD (2005) Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives. Organic and Biomolecular Chemistry , 3 (22) 4095 - 4107. 10.1039/b512410g.

Li, SJ and Yang, R and Niinomi, M and Hao, YL and Cui, YY and Guo, ZX (2005) Phase transformation during ageing and resulting mechanical properties of two Ti-Nb-Ta-Zr alloys. Materials Science and Technology , 21 678 - 686. 10.1179/174328405X43108.

Liu, HJ and Mun, BS and Thornton, G and Isaacs, SR and Shon, YS and Ogletree, DF and Salmeron, M (2005) Electronic structure of ensembles of gold nanoparticles: Size and proximity effects. PHYS REV B , 72 (15) , Article 155430. 10.1103/PhysRevB.72.155430.

Lunazzi, L and Mazzanti, A and Minzoni, M and Anderson, JE (2005) Structure, Conformation, and Dynamic Processes of the Stereolabile Atropisomers of Hindered Terphenyl Hydrocarbons. Organic Letters , 7 (7) 1291 - 1294.

M

Mahata, P and Sankar, G and Madras, G and Natarajan, S (2005) A novel sheet 4f-3d mixed-metal pyridine dicarboxylate: synthesis, structure, photophysical properties and its transformation to a perovskite oxide. CHEM COMMUN (46) 5787 - 5789. 10.1039/b509588c.

Mandal, S and Green, MA and Natarajan, S and Pati, SK (2005) Magnetic studies on a new low-dimensional antiferromagnetic iron phosphate. The Journal of Physical Chemistry B , 108 (52) 20351 - 20354.

Mandal, S and Pati, SK and Green, MA and Natarajan, S (2005) The first one-dimensional iron phosphite-phosphate, [Fe-III(2,2 '-bipyridine)(HPO3)(H2PO4)]: Synthesis, structure, and magnetic properties. Chemistry of Materials , 17 (3) 638 - 643.

Mann, DP and Paraskeva, T and Pratt, KFE and Parkin, IP and Williams, DE (2005) Metal oxide semiconductor gas sensors utilizing a Cr-zeolite catalytic layer for improved selectivity. MEAS SCI TECHNOL , 16 (5) 1193 - 1200. 10.1088/0957-0233/16/5/020.

Manning, TD and Parkin, IP and Blackman, C and Qureshi, U (2005) APCVD of thermochromic vanadium dioxide thin films - solid solutions V2-xMxO2 (M = Mo, Nb) or composites VO2 : SnO2. J MATER CHEM , 15 (42) 4560 - 4566. 10.1039/b510552h.

Manning, TD and Parkin, IP and Blackman, C and Qureshi, U (2005) APCVD of thermochromic vanadium dioxide thin films - solid solutions V<sub>2-x</sub>M<sub>x</sub>O<sub>2</sub> (M=Mo, Nb) or composites VO<sub>2</sub>:SnO<sub>2</sub>. Journal of Materials Chemistry , 15 4560 - 4566.

Manoharan, SS and Singh, B and Driscoll, J and Branford, W and Cohen, L and Besmehn, A (2005) Magnetism and electronic transport in Sr4-xLaxRu2-xMnxO9: Interplay of Mn and Ru redox chemistry. Journal of Applied Physics , 97 (10) 10A304 - ?.

Marson, CM (2005) Pharmaceutical agents. WO2005011661.

Marson, CM and Melling, RC (2005) Enantioselective syntheses of trans-3,4-difluoropyrrolidines and investigation of their applications in catalytic asymmetric synthesis. J ORG CHEM , 70 (24) 9771 - 9779. 10.1021/jo0513414.

Marson, CM and Melling, RC and Coles, SJ and Hursthouse, MB (2005) Synthesis of (3S,3S ',4S,4S ')-1,1 '-ethylenedipyrrolidine-3,3 ',4,4 '-tetraol and related diamino diols: donor-acceptor hydrogen-bonding motifs of the C-2 symmetric 3,4-dihydroxypyrrolidine unit. TETRAHEDRON-ASYMMETR , 16 (16) 2799 - 2809. 10.1016/j.tetasy.2005.07.024.

Matousek, P and Clark, IP and Draper, ERC and Morris, MD and Goodship, AE and Everall, N and Towrie, M and Finney, WF and Parker, AW (2005) Subsurface probing in diffusely scattering media using spatially offset Raman spectroscopy. APPL SPECTROSC , 59 (4) 393 - 400.

Matousek, P and Morris, MD and Everall, N and Clark, IP and Towrie, M and Draper, E and Goodship, A and Parker, AW (2005) Numerical simulations of subsurface probing in diffusely scattering media using spatially offset Raman spectroscopy. Applied Spectroscopy , 59 (12) 1485 - 1492.

Matsukata, M and Inagaki, S and Nakatsuyama, K and Saka, Y and Kikuchi, E and Sankar, G and Okubo, T and Kohara, S (2005) High-energy x-ray diffraction study on the change of intermediate-range structure in the course of crystallization of high silica zeolite beta. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. U736 - U736). AMER CHEMICAL SOC

Maurin, G and Bell, RG and Kuchta, B and Poyet, T and Llewellyn, P (2005) Adsorption of Non Polar and Quadrupolar Gases in Siliceous Faujasite: Molecular Simulations and Experiments. Adsorption , 11(suppl. 1) 331 - ?. 10.1007/s10450-005-5946-z.

Maurin, G and Bell, RG and Llewellyn, PL (2005) CO2 adsorption in faujasite systems: microcalorimetry and molecular simulation. MOLECULAR SIEVES: FROM BASIC RESEARCH TO INDUSTRIAL APPLICATIONS, PTS A AND B , 158 955 - 962.

Maurin, G and Llewellyn, PL and Bell, RG (2005) Adsorption mechanism of carbon dioxide in faujasites: Grand canonical Monte Carlo simulations and microcalorhnetry measurements. J PHYS CHEM B , 109 (33) 16084 - 16091. 10.1021/jp052716s.

Mayes, KR and Lujan, M and Riley, GD and Chin, J and Coveney, PV and Gurd, JR (2005) Towards performance control on the Grid. PHILOS T R SOC A , 363 (1833) 1793 - 1805. 10.1098/rsta.2005.1607.

McCoustra, MRS and Brown, WA and Viti, S (2005) To infinity and beyond. Education in Chemistry , 42 153 - ?.

McMillan, P (2005) Designed for adversity. Materials World , 13 (5) 22 - 22.

McMillan, PF (2005) A stranger in paradise. Science , 310 (5751) 1125 - 1126.

McMillan, PF (2005) Pressing on: The legacy of Percy W. Bridgman. Nature Materials , 4 (10) 715 - 718.

McMillan, PF and Gryko, J and Bull, C and Arledge, R and Kenyon, AJ and Cressey, BA (2005) Amorphous and nanocrystalline luminescent Si and Ge obtained via a solid-state chemical metathesis synthesis route. J SOLID STATE CHEM , 178 (3) 937 - 949. 10.1016/j.jssc.2004.12.040.

Mcmillan, PF and Wilson, M and Daisenberger, D and Machon, D (2005) A density-driven phase transition between semiconducting and metallic polyamorphs of silicon. Nature Materials , 4 (9) 680 - 684.

Mcmillan, PF and Wilson, M and Daisenberger, D and Machon, D (2005) A density-driven phase transition between semiconducting and metallic polyamorphs of silicon. NAT MATER , 4 (9) 680 - 684. 10.1038/nmat1458.

Melville, JL and Lovelock, KRJ and Wilson, C and Allbutt, B and Burke, EK and Lygo, B and Hirst, JD (2005) Exploring phase-transfer catalysis with molecular dynamics and 3D/4D quantitative structure-selectivity relationships. J CHEM INF MODEL , 45 (4) 971 - 981. 10.1021/ci0500511.

Menconi, G and Kaltsoyannis, N (2005) Nature of the transition metal - Cycloheptatrienyl bond. Computational studies of the electronic structure of [M(eta(7)-C7H7)(eta(5)-C5H5)] (M = groups 4-6). ORGANOMETALLICS , 24 (6) 1189 - 1197. 10.1021/om0492505.

Menconi, G and Kaltsoyannis, N (2005) Time dependent DFT study of the electronic transition energies of RuO(4)and OsO4. CHEM PHYS LETT , 415 (1-3) 64 - 68. 10.1016/j.cplett.2005.08.092.

Micheletti, M and Gill, N and Chen, BH and Dalby, PA and Baganz, F and Hailes, HC and Ward, JM and Lye, GJ and Woodley, JM (2005) Faster development and evaluation of biocatalytic processes. In: (Proceedings) Faster Process Development: New Tools for New Challenges. : London, UK.

Mohebi, MM and Evans, JRG (2005) The trajectory of ink-jet droplets: Modelling and experiment. Chemical Engineering and Science , 60 (13) 3469 - 3476. 10.1016/j.ces.2005.01.036.

Mora-Fonz, MJ and Catlow, CRA and Lewis, DW (2005) Oligomerization and cyclization processes in the nucleation of microporous silicas. Angewandte Chemie - International Edition , 44 (20) 3082 - 3086.

Mora-Fonz, MJ and Catlow, CRA and Lewis, DW (2005) Oligomerization and cyclization processes in the nucleation of microporous silicas. ANGEW CHEM INT EDIT , 44 (20) 3082 - 3086. 10.1002/anie.200462524.

Mora-Fonz, MJ and Catlow, CRA and Lewis, DW (2005) The role of solvation and pH in the nucleation of pure silica zeolites. Studies in Surface Science and Catalysis , 158 A 295 - 302.

Mora-Fonz, MJ and Catlow, CRA and Lewis, DW (2005) The role of solvation and pH in the nucleation of pure silica zeolites. In: Cejka, J and Zilkova, N and Nachtigall, P, (eds.) MOLECULAR SIEVES: FROM BASIC RESEARCH TO INDUSTRIAL APPLICATIONS, PTS A AND B. (pp. 295 - 302). ELSEVIER SCIENCE BV

Morones, JR and Elichiguerra, JL and Camacho, A and Holt, K and Kouri, JB and Ramirez, JT and Yacaman, MJ (2005) The bactericidal effect of silver nanoparticles. Nanotechnology , 16 (10) 2346 - 2353. 10.1088/0957-4484/16/10/059.

Morris, MD and Matousek, P and Towrie, M and Parker, AW and Goodship, AE and Draper, ERC (2005) Kerr-gated time-resolved Raman spectroscopy of equine cortical bone tissue. J BIOMED OPT , 10 (1) , Article 014014. 10.1117/1.1827605.

Motherwell, W.B. and Storey, L.J. (2005) Some studies on nucleophilic trifluoromethylation using the shelf-stable trifluoromethylacetophenone- N,N-dimethyltrimethylsilylamine adduct. Journal of Fluorine Chemistry , 126 (4) pp. 489-496. 10.1016/j.jfluchem.2004.11.010.

Motherwell, WB (2005) Synthesis. SYNTHESIS-STUTTGART (19) ? - ?.

Motherwell, WB and Storey, LJ (2005) Some studies on nucleophilic trifluoromethylation using the shelf-stable trifluoromethylacetophenone-N, N-dimethyltrimethylsilylamine adduct. J FLUORINE CHEM , 126 (4) 491 - 498. 10.1016/j.jfluchem.2004.11.010.

Murdin, BN and Litvinenko, K and Allam, J and Pidgeon, CR and Bird, M and Morrison, K and Zhang, T and Clowes, SK and Branford, WR and Harris, J and Cohen, LF (2005) Temperature and doping dependence of spin relaxation in n-InAs. Physical Review B , 72 (8) 085346 - ?.

N

Nandra, GS and Pang, PS and Porter, MJ and Elliott, JM (2005) Synthesis of vinylogous carbamates by rhodium(II)-catalyzed olefination of tertiary formamides with a silylated diazoester. ORG LETT , 7 (16) 3453 - 3455. 10.1021/ol0510872.

Nandra, GS and Porter, MJ and Elliott, JM (2005) Reductive cyclisation of azidolactams with Bu3P/LiAlH4. SYNTHESIS-STUTTGART (3) 475 - 479. 10.1055/s-2004-837292.

Naskar, JP and Drew, MGB and Hulme, A and Tocher, DA and Datta, D (2005) Occurrence of ribbons of cyclic water pentamers in a metallo-organic framework formed by spontaneous fixation of CO2. CRYSTENGCOMM , 7 67 - 70. 10.1039/b417512n.

Netshisaulu, TT and Chadwick, AV and Ngoepe, PE and Catlow, CRA (2005) Spectroscopic and computer modelling studies of mixed-cation superionic fluorites. J PHYS-CONDENS MAT , 17 (41) 6575 - 6586. 10.1080/0953-8984/17/41/026.

Ngoepe, PE and Ntoahae, PS and Mangwejane, SS and Sithole, HM and Parker, SC and Wright, KV and de Leeuw, NH (2005) Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide. S AFR J SCI , 101 (9-10) 480 - 483.
An open access publication

Nowell, H and Price, SL (2005) Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam. ACTA CRYSTALLOGR B , 61 558 - 568. 10.1107/S0108768105018549.

Numbere, MG and Hailes, HC and Rosivatz, E and Byrne, R and Woscholski, R (2005) Synthetic approach to compound 48/80 and its analogues. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. U129 - U130). AMER CHEMICAL SOC

P

Palgrave, RG and Parkin, IP (2005) Smart coatings on glass. Education in Chemistry , May 75 - 77.

Pammer, P and Schlapak, R and Sonnleitner, M and Ebner, A and Zhu, R and Hinterdorfer, P and Hoglinger, O and Schindler, H and Howorka, S (2005) Nanopatterning of biomolecules with microscale beads. CHEMPHYSCHEM , 6 (5) 900 - 903. 10.1002/cphc.200400526.

Pang, CL and Ishibashi, TA and Onishi, H (2005) Adsorption of fluorescein isothiocyanate Isomer-I (FITC-I) dye on TiO2(110) from an acetone solution. In: JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS. (pp. 5438 - 5442). JAPAN SOC APPLIED PHYSICS

Pang, CL and Muryn, CA and Woodhead, AP and Raza, H and Haycock, SA and Dhanak, VR and Thornton, G (2005) Low-coverage condensation of K on TiO2(110) 1x1. SURF SCI , 583 (2-3) L147 - L152. 10.1016/j.susc.2005.03.033.

Parfitt, DC and Keen, DA and Hull, S and Crichton, WA and Mezouar, M and Wilson, M and Madden, PA (2005) High pressure forms of lithium sulphate: structural determination and computer simulation. Physical Review B , 72 054121 - ?.

Parkin, IP and Palgrave, RG (2005) Self-cleaning coatings. J MATER CHEM , 15 (17) 1689 - 1695. 10.1039/b412803f.

Patel, J and Farrell, D and Parkin, IP and Pankhurst, QA (2005) Particle size and oxidation in CoNi nanoparticles. In: (Proceedings) Materials Research Society Symposium Proceedings. (pp. 1 - 6).

Patel, J and Pankhurst, QA and Parkin, IP (2005) Synthesis and properties of nickel-cobalt-boron nanoparticles. Journal of Physics: Conference Series , 17 196 - 200.
An open access publication

Patel, J and Pankhurst, QA and Parkin, IP (2005) Synthesis and properties of nickel-cobalt-boron nanoparticles. In: Pankhurst, Q, (ed.) FIFTH INTERNATIONAL CONFERENCE ON FINE PARTICLE MAGNETISM. (pp. 196 - 200). IOP PUBLISHING LTD
An open access publication

Payne, DJ and Egdell, RG and Hao, W and Foord, JS and Walsh, A and Watson, GW (2005) Why is lead dioxide metallic? CHEM PHYS LETT , 411 (1-3) 181 - 185. 10.1016/j.cplett.2005.06.023.

Perkin, S and Kampf, N and Klein, J (2005) Stability of self-assembled hydrophobic surfactant layers in water. J PHYS CHEM B , 109 (9) 3832 - 3837. 10.1021/jp047746u.

Perni, S and Andrew, PW and Shama, G (2005) Estimating the maximum growth rate from microbial growth curves: definition is everything. FOOD MICROBIOL , 22 (6) 491 - 495. 10.1016/j.fm.2004.11.014.

Peters, ES and Carmalt, CJ and Parkin, IP and Tocher, DA (2005) Aerosol-assisted chemical vapor deposition of NbS2 and TaS2 thin films from pentakis(dimethylamido)metal complexes and 2-methylpropanethiol. EUR J INORG CHEM (20) 4179 - 4185. 10.1002/ejic.200500400.

Phala, NS and Klatt, G and van Steen, E and French, SA and Sokol, AA and Catlow, CRA (2005) The nature of the oxidation states of gold on ZnO. PHYS CHEM CHEM PHYS , 7 (12) 2440 - 2445.

Phillips, M and Duncanson, P and Wilson K, D and J A, G and D V, R and I, (2005) Surface Modification of Bioceramics by Grafting of Tailored Allyl Phosphonic Acid. Advances in Applied Ceramics , 104 261 - 267. 10.1179/174367605X62436.
An open access version is available from UCL Discovery
file

Plant, DF and Maurin, G and Bell, RG (2005) Molecular dynamics simulation of methanol in zeolite NaY. MOLECULAR SIEVES: FROM BASIC RESEARCH TO INDUSTRIAL APPLICATIONS, PTS A AND B , 158 963 - 970.

Price, SL (2005) Towards the Computational Prediction of Polymorphism. Innovations in Pharmaceutical Technology (December) 91 - 94.

Price, SL and Price, LS (2005) Modelling Intermolecular Forces for Organic Crystal Structure Prediction. In: Wales, DJ, (ed.) Intermolecular Forces and Clusters I. (81 - 123). Springer-Verlag: Berlin, Heidelberg, Germany.

R

Rafilovich, M and Bernstein, J and Harris, RK and Apperley, DC and Karamertzanis, PG and Price, SL (2005) Groth's original concomitant polymorphs revisited. CRYST GROWTH DES , 5 (6) 2197 - 2209. 10.1021/cg050151j.

Ramos, SS and Santos, L and Almeida, P and Motherwell, WB and Costa, MC (2005) C-13 NMR spectral assignment of five epimeric 3 alpha- versus 3 beta-functionalized cholestane pairs. MAGN RESON CHEM , 43 (10) 861 - 863. 10.1002/mrc.1635.

Ramsahye, NA and Bell, RG (2005) Cation mobility and the sorption of chloroform in zeolite NaY: Molecular dynamics study. J PHYS CHEM B , 109 (10) 4738 - 4747. 10.1021/jp046958o.

Ricketts, CL and Harper, SM and Hu, SWP and Price, SD (2005) The formation of NO+ from the reaction of N-2(2+) with O-2. J CHEM PHYS , 123 (13) , Article 134322. 10.1063/1.2050648.

Roydhouse, MD and Walton, JC (2005) Radical-carbanion cyclo-coupling in armed aromatics: overriding steric hindrance to ring closure. CHEM COMMUN (35) 4453 - 4455. 10.1039/b506391d.

Ruan, JF and Wu, P and Slater, B and Terasaki, O (2005) Structure elucidation of the highly active titanosilicate catalyst Ti-YNU-1. ANGEW CHEM INT EDIT , 44 (41) 6719 - 6723. 10.1002/anie.200501939.

Ruiz-Salvador, AR and Garcia-Sanchez, MF and O'Reilly-Lukin, M and Lewis, DW and Gomez, A (2005) Approaching the structure of heavily defective ionic oxides through atomistic modeling. Physica Status Solidi C: Conferences , 2 (10) 3521 - 3524.

S

Salih, D and Slater, B and Lewis, DW and Green, MA and van Beek, W (2005) An investigation into the crystal structures of Na-J(BW) and Li-A(BW). MOLECULAR SIEVES: FROM BASIC RESEARCH TO INDUSTRIAL APPLICATIONS, PTS A AND B , 158 105 - 112.

Sarkar, S and Lee, LK and Hart, SL and Hailes, HC and Levy, SM and Tabor, A and Shamlou, PA (2005) The fractal structure of polycation-DNA complexes. BIOTECHNOL APPL BIOC , 41 127 - 136.

Sarkar, S and Lee, LK and Hart, SL and Hailes, HC and Levy, SM and Tabor, AB and Azayi Shamlou, P (2005) Fractal Structure of Polycation-DNA Complexes. Biotechnology and Applied Biochemistry , 41 127 - 136.

Sayle, TXT and Catlow, CRA and Maphanga, RR and Ngoepe, PE and Sayle, DC (2005) Generating MnO2 nanoparticles using simulated amorphization and recrystallization. J AM CHEM SOC , 127 (37) 12828 - 12837. 10.1021/ja0434073.

Sella, A and Brennan, JG (2005) Scandium, Yttrium, and the Lanthanides. In: Specialist Periodical Reports: Organometallic Chemistry. (75 - 103). Royal Society of Chemistry

Sharma, A and MacManus-Driscoll, JL and Branford, W and Bugoslavsky, Y and Cohen, LF and Rager, J (2005) Phase stability and optimum oxygenation conditions for Sr2FeMoO6 formation. Applied Physics Letters , 87 (11) 112505 - ?.

Shaw, G and Parkin, IP and Pratt, KFE and Williams, DE (2005) Control of semiconducting oxide gas-sensor microstructure by application of an electric field during aerosol-assisted chemical vapour deposition. J MATER CHEM , 15 (1) 149 - 154. 10.1039/b411680a.

Shaw, GA and Pratt, KFE and Parkin, IP and Williams, DE (2005) Gas sensing properties of thin film (<= 3 mu m) Cr2-xTixO3 (CTO) prepared by atmospheric pressure chemical vapour deposition (APCVD), compared with that prepared by thick film screen-printing. SENSOR ACTUAT B-CHEM , 104 (1) 151 - 162. 10.1016/j.snb.2004.05.016.

Shaw, MJ and Briddon, PR and Goss, JP and Rayson, MJ and Kerridge, A and Harker, AH and Stoneham, AM (2005) Importance of quantum tunneling in vacancy-hydrogen complexes in diamond. PHYS REV LETT , 95 (10) , Article 105502. 10.1103/PhysRevLett.95.105502.
An open access publication. A version is also available from UCL Discovery.
file

Shaw, MJ and Briddon, PR and Goss, JP and Rayson, MJ and Kerridge, A and Harker, AH and Stoneham, AM (2005) Importance of quantum tunneling in vacancy-hydrogen complexes in diamond (vol 95, pg 105502 2005). PHYS REV LETT , 95 (21) , Article 219901. 10.1103/PhysRevLett.95.219901.

Sherwin, R and Clark, RJH and Lauck, R and Cardona, M (2005) Effect of isotope substitution and doping on the Raman spectrum of galena (PBS). Solid State Communications , 134 565 - 570.

Shevlin, SA and Curioni, A and Andreoni, W (2005) Ab initio design of high-k dielectrics: LaxY1-xAlO3. PHYS REV LETT , 94 (14) , Article 146401. 10.1103/PhysRevLett.94.146401.
An open access publication. A version is also available from UCL Discovery.
file

Shirran, S and Garnaud, P and Daff, S and MacMillan, D and Barran, P (2005) The formation of a complex between calmodulin and neuronal nitric oxide synthase is determined by ESI-MS. Journal of the Royal Society, Interface , 2 (5) 465 - 476. 10.1098/​rsif.2005.0055.

Simperler, A and Foster, MD and Friedrichs, OD and Bell, RG and Paz, FAA and Klinowski, J (2005) Hypothetical binodal zeolitic frameworks. ACTA CRYSTALLOGR B , 61 263 - 279. 10.1107/S0108768105013340.

Slater, B and Mistry, M (2005) Simulating crystal growth of zeolitic materials. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. U735 - U735). AMER CHEMICAL SOC

Smiljanic, E and Motherwell, WB and Warrington, BH and Wong, SYF (2005) Studies of millipede artificial enzymes. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. U540 - U540). AMER CHEMICAL SOC

Smith, MEB and Ingram, CU and Faulkner, S and Hibbert, E and Micheletti, M and Kaulmann, K and Hailes, H and Lye, GJ and Dalby, PA and Ward, JM and Woodley, JM and Baganz, F (2005) Engineering and directed evolution of multi-step biocatalytic pathways in bacteria. In: (Proceedings) Third International Taylor Conference: "Catalysis at the Interface: Challanges and Opportunities. : Belfast.

Sobott, F and Mccammon, MG and Hernández, H and Robinson, CV and Karplus, M and Dobson, CM and Scoles, G and Zewail, AH and McMillan, PF and Finney, JL (2005) The flight of macromolecular complexes in a mass spectrometer. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 363 (1827) 379 - 391.

Soignard, E and Machon, D and McMillan, P and Dong, J and Xu, B and Leinenweber, K (2005) Spinel-structured gallium oxynitride (Ga<sub>3</sub>O<sub>3</sub>N): An experimental and theoretical study. Chemistry of Materials , 17 5465 - 5472. 10.1021/cm051224p.

Soignard, E and Machon, D and McMillan, PF and Dong, J and Xu, B and Leinenweber, K (2005) Spinel-structured gallium oxynitride (Ga 3O 3N) synthesis and characterization: An experimental and theoretical study. Chemistry of Materials , 17 (22) 5465 - 5472.

Soignard, E. and Machon, D. and McMillan, P.F. and Dong, J. and Xu, B. and Leinenweber, K. (2005) Spinel-structured gallium oxynitride (Ga3O3N) synthesis and characterization: an experimental and theoretical study. Chemistry of Materials , 17 (22) pp. 5465-5472. 10.1021/cm051224p.

Song, Y and Guo, ZX (2005) Bonding mechanism and stability of lithium hydrides. Materials Science and Technology , 3 23 - 30.

Stone, D and Rowley, DM (2005) Kinetics of the gas phase HO2 self-reaction: Effects of temperature, pressure, water and methanol vapours. PHYS CHEM CHEM PHYS , 7 (10) 2156 - 2163.

Stovall, DM and Acree, WE and Abraham, MH (2005) Solubility of 9-fluorenone, thianthrene and xanthene in organic solvents. Fluid Phase Equilibria , 232 113 - 121. 10.1016/j.fluid.2005.02.016.

Stovall, DM and Givens, C and Keown, S and Hoover, KR and Rodriguez, E and Acree, WE and Abraham, MH (2005) Solubility of crystalline nonelectrolyte solutes in organic solvents: mathematical correlation of ibuprofen solubilities with the Abraham solvation parameter model. Physics and Chemistry of Liquids , 43 261 - 268. 10.1080/00319100500062546.

Stovall, DM and Hoover, KC and Acree, WE and Abraham, MH (2005) Solubility behavior of crystalline polycyclic aromatic hydrocarbons (PAHs): prediction of fluorene solubilities in solvents with the Abraham solvation parameter model. Polycyclic Aromatic Compound , 25 313 - 326. 10.1080/10406630500227247.

Subasi, E and Hogarth, G (2005) Synthesis and characterization of eta(3)-allyl palladium(II) complexes with Ph2P(S)CHP(S)Ph-2 and OC(CF3)CHCO(C4H3S) co-ligands. TRANSIT METAL CHEM , 30 (3) 372 - 375. 10.1007/s11243-004-6963-6.

Subasi, E and Hogarth, G (2005) Synthesis and characterization of eta(3)-allyl palladium(II) complexes, [(eta(3)-allyl)Pd(S2X)] (X = CNMe2, CNEt2, COEt, PPh2). J COORD CHEM , 58 (7) 623 - 628. 10.1080/00958970500039298.

T

Thomas, JM and Raja, R and Lewis, DW (2005) Single-site heterogeneous catalysts. ANGEW CHEM INT EDIT , 44 (40) 6456 - 6482. 10.1002/anie.200462473.

Tilocca, A and Di Valentin, C and Selloni, A (2005) O-2 interaction and reactivity on a model hydroxylated rutile(110) surface. J PHYS CHEM B , 109 (44) 20963 - 20967. 10.1021/jp0544181.

Tilocca, A and Selloni, A (2005) O-2 and vacancy diffusion on rutile(110): Pathways and electronic properties. CHEMPHYSCHEM , 6 (9) 1911 - 1916. 10.1002/cphc.200400570.

To, J and Sokol, AA and French, SA and Kaltsoyannis, N and Catlow, CRA (2005) Hole localization in [AlO4](0) defects in silica materials. J CHEM PHYS , 122 (14) , Article 144704. 10.1063/1.1880972.

Tsotinis, A and Vlachou, M and Eleutheriades, A and Garratt, PJ and Ibbett, AJ and Ng, Y-F and Pannecouque, C and Witvrouw, M and De Clercq, E (2005) Aromatic polycationic molecules with restricted conformations: An alternative approach to antiherpes agents. Letters in Drug Design and Discovery , 2 (5) 424 - 427.

Turner, DR and Smith, B and Spencer, EC and Goeta, AE and Evans, IR and Tocher, DA and Howard, JAK and Steed, JW (2005) Anion binding by Ag(I) complexes of urea-substituted pyridyl ligands. NEW J CHEM , 29 (1) 90 - 98. 10.1039/b415818k.

Turner, SS and Day, P (2005) Ion-radical Salts: a new kind of Ferrimagnet. Journal of Materials Chemistry , 15 23 - 25.

U

Uetsuka, H and Pang, C and Sasahara, A and Onishi, H (2005) Photochemical reaction of trimethyl acetate on Pt/TiO2(110). LANGMUIR , 21 (25) 11802 - 11805. 10.1021/la051679t.

V

Valerio, E and Grigorescu, C and Manea, SA and Guinneton, F and Branford, WR and Autric, M (2005) Pulsed laser deposition of thin films of various full Heusler alloys CO2MnX (X = Si, Ga, Ge, Sn, SbSn) at moderate temperature. Applied Surface Science , 247 (1-4) 151 - 156.

Vallance, P and Bush, H and D, M and B J, H-G and R, G and H, R and S, W and J, C and S, (2005) Inhibition of dimethylarginine dimethylaminohydrolase (DDAH) and arginine deiminase (ADI) by pentafluorophenyl (PFP). Chemical Communications (44) 5563 - 5565. 10.1039/b510709a.

Vallance, P and Bush, HD and Mok, BJ and Hurtado-Guerrero, R and Gill, H and Rossiter, S and Wilden, JD and Caddick, S (2005) Inhibition of dimethylarginine dimethylaminohydrolase (DDAH) and arginine deiminase (ADI) by pentafluorophenyl (PFP) sulfonates. CHEM COMMUN (44) 5563 - 5565. 10.1039/b510709a.

van Mourik, T (2005) On the relative stability of two noradrenaline conformers. Chemical Physics Letters , 414 365 - 368.

van Mourik, T and Dingley, AJ (2005) Characterization of the monovalent ion position and hydrogen bond network in guanine quartets by DFT calculations of NMR parameters. Chemistry - A European Journal , 11 6064 - 6079.

Van Mourik, T and Fruchtl, HA (2005) The potential energy landscape of noradrenaline: An electronic structure study. Molecular Physics , 103 (11-12) 1641 - 1654.

Varnik, F and Henrich, O (2005) Yield Stress Discontinuity in a Simple Glass. 10.1103/PhysRevB.73.174209.

Vendruscolo, M and Dobson, CM and Zewail, AH and Mcmillan, PF and Davies, JF and Karplus, M and Simons, JP (2005) Towards complete descriptions of the free-energy landscapes of proteins. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 363 (1827) 433 - 452.

Videler, H and Ilag, LL and McKay A R, H and Robinson, CLACV (2005) Mass spectrometry of intact ribosomes. FEBS Letters , 579 (4) 943 - 947. 10.1016/j.febslet.2004.12.003.

Visintin, C and Aliev, AE and Riddall, D and Baker, D and Okuyama, M and Hoi, PM and Hiley, R and Selwood, DL (2005) Membrane receptor probes: Solid-phase synthesis of biotin-Asp-PEG-arvanil derivatives. ORG LETT , 7 (9) 1699 - 1702. 10.1021/ol0502578.

W

Walker, AM and Gale, JD and Slater, B and Wright, K (2005) Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology. PHYS CHEM CHEM PHYS , 7 (17) 3227 - 3234. 10.1039/b505612h.

Walker, AM and Gale, JD and Slater, B and Wright, K (2005) Atomic scale modelling of the cores of dislocations in complex materials part 2: applications. PHYS CHEM CHEM PHYS , 7 (17) 3235 - 3242. 10.1039/b505716g.

Walsh, A and Watson, GW (2005) Influence of the anion on lone pair formation in Sn(II) monochalcogenides: A DFT study. J PHYS CHEM B , 109 (40) 18868 - 18875. 10.1021/jp051822r.

Walsh, A and Watson, GW (2005) The origin of the stereochemically active Pb(II) lone pair: DFT calculations on PbO and PbS. J SOLID STATE CHEM , 178 (5) 1422 - 1428. 10.1016/j.jssc.2005.01.030.

Wan, SZ and Coveney, PV and Flower, DR (2005) Molecular basis of peptide recognition by the TCR: Affinity differences calculated using large scale computing. J IMMUNOL , 175 (3) 1715 - 1723.

Wan, SZ and Coveney, PV and Flower, DR (2005) Peptide recognition by the T cell receptor: comparison of binding free energies from thermodynamic integration, Poisson-Boltzmann and linear interaction energy approximations. PHILOS T R SOC A , 363 (1833) 2037 - 2053. 10.1098/rsta.2005.1627.

Wang, J and Evans, JRG (2005) Library preparation using an aspirating-dispensing ink-jet printer for combinatorial studies in ceramics. Journal of Materials Research , 20 2733 - 2740.

Wang, J and Evans, JRG (2005) London University Search Instrument:a combinatorial robot for high throughput methods in ceramic science. Journal of Combinatorial Chemistry , 7 665 - 672.

Wang, J and Mohebi, MM and Evans, JRG (2005) Two methods to generate multiple compositions in combinatorial ink-jet printing. Macromolecular Rapid Communications , 26 207 - 212. 10.1002/marc.200590007.

Wang, ZM and Zhang, B and Kurmoo, M and Green, MA and Fujiwara, H and Otsuka, T and Kobayashi, H (2005) Synthesis and characterization of a porous magnetic diamond framework, Co-3(HCOO)6, and its N-2 sorption characteristic. Inorganic Chemistry , 44 (5) 1230 - 1237.

Wattis, JAD and Coveney, PV (2005) Chiral polymerization and the RNA world. INTERNATIONAL JOURNAL OF ASTROBIOLOGY , 4 (1) 63 - 73. 10.1017/S1473550405002454.

Wattis, JAD and Coveney, PV (2005) Symmetry-breaking in chiral polymerisation. ORIGINS LIFE EVOL B , 35 (3) 243 - 273. 10.1007/s11084-005-0658-7.

Watts, ID and Carling, SG and Day, P and Visser, D (2005) Local order and structural transitions in the molecule-based layer ferrimagnet (n-C4H9)(4)N (FeFeIII)-Fe-II(C2O4)(3). J PHYS CHEM SOLIDS , 66 (6) 932 - 935. 10.1016/j.jpcs.2004.10.008.

Welch, A and Shiju, NR and Watts, ID and Sankar, G and Nikitenko, S and Bras, W (2005) Epoxidation of cyclohexene over crystalline and amorphous titanosilicate catalysts. CATAL LETT , 105 (3-4) 179 - 182. 10.1007/s10562-005-8688-3.

Wilden, JD and Judd, DB and Caddick, S (2005) Rate enhancement of PFP sulfonate ester aminolysis by chloride salts in organic and aqueous media. TETRAHEDRON LETT , 46 (44) 7637 - 7640. 10.1016/j.tetlet.2005.08.088.

Wilding, MC and Wilson, M and McMillan, PF (2005) Combined neutron and X-ray diffraction studies of rare earth aluminate glasses: structural constraints on the polyamorphic transition in Y2O3-Al2O3. 589 - 607.

Wilding, MC and Wilson, M and McMillan, PF (2005) X-ray and neutron diffraction studies and MD simulation of atomic configurations in polyamorphic Y2O3-Al2O3 systems. PHILOS T R SOC A , 363 (1827) 589 - 607. 10.1098/rspa.2004.1510.

Willitsch, S and Innocenti, F and Dyke, JM and Merkt, F (2005) High-resolution pulsed-field-ionization zero-kinetic-energy photoelectron spectroscopic study of the two lowest electronic states of the ozone cation. The Journal of Chemical Physics , 122 024311 - ?. 10.1063/1.1829974.

Wills, AS (2005) Application of symmetry to magnetism and its consequences for crystallography. In: Acta Cryst. A. (pp. C22 - ?).

Wills, AS (2005) Magnetic Rietveld and single crystal refinement with SARAh- Representational Analysis and SARAh-Refine. IUCr Commission on Computing Software Newsletter

Wills, AS (2005) Magnetism. In: Annu. Rep. Prog. Chem., Sect. A: Inorg. Chem. (472 - 488).

Wills, AS (2005) Symmetry in the solid state; working beyond the space group. J MATER CHEM , 15 (2) 245 - 252. 10.1039/b404156a.

Wills, AS and LeLievre-Berna, E and Tasset, F and Schweitzer, J and Ballou, R and Ludi, A and Day, P (2005) Spin transfer in Prussian Blue, measured using polarized neutron diffraction. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. U973 - U973). AMER CHEMICAL SOC

Wills, AS and Lelievre-Berna, E and Tasset, F and Schweizer, J and Ballou, R (2005) Magnetisation distribution measurements from powders using a He-3 spin filter: a test experiment. PHYSICA B-CONDENSED MATTER , 356 (1-4) 254 - 258. 10.1016/j.physb.2004.10.086.

Wilson, DJ and Sokol, AA and French, SA and Catlow, CRA (2005) The rôle of defects in photographic latent image formation. Materials Research Society Symposium Proceedings , 848 351 - 356.

Wilton-Ely, J and Pogorzelec, PJ and Honarkhah, S and Reid, DH and Tocher, DA (2005) Mixed-Donor Ligands: Pyrrolecarbaldehyde andPyrrolecarbothioaldehyde ?-Organyl Complexes ofRuthenium(II) and Osmium(II). Organometallics, 2005, 24, 2862 , 24 (12) 2862 - 2874. 10.1021/om050186g.

Wilton-Ely, JDET and Honarkah, SJ and Wang, M and Tocher, DA and Slawin, AMZ (2005) Sigma-organyl complexes of ruthenium and osmium supported by a mixed-donor ligand. Dalton Transactions 1930 - 1939.

Wilton-Ely, JDET and Honarkhah, SJ and Wang, M and Tocher, DA and Slawin, AMZ (2005) sigma-Organyl complexes of ruthenium and osmium supported by a mixed-donor ligand. DALTON T (11) 1930 - 1939. 10.1039/b501906k.
An open access version is available from UCL Discovery
file

Wilton-Ely, JDET and Pogorzelec, PJ and Honarkhah, SJ and Reid, DH and Tocher, DA (2005) Mixed-donor ligands: Pyrrolecarbaldehyde and pyrrolecarbothioaldehyde sigma-organyl complexes of ruthenium(II) and osmium(II). ORGANOMETALLICS , 24 (12) 2862 - 2874. 10.1021/om050186g.

Wilton-Ely, JDET and Solanki, D and Hogarth, G (2005) Multifunctional dithiocarbamates as ligands towards the rational synthesis of polymetallic arrays: An example based on a piperizine-derived dithiocarbamate ligand. EUR J INORG CHEM (20) 4027 - 4030. 10.1002/ejic.200500430.

Wilton-Ely, JDET and Wang, M and Honarkhah, SJ and Tocher, DA (2005) Ruthenium hydride and vinyl complexes supported by nitrogen-oxygen mixed-donor ligands. INORG CHIM ACTA , 358 (11) 3218 - 3226. 10.1016/j.ica.2005.04.036.

Wilton-Ely, JDET and Wang, M and Honarkhah, SJ and Tocher, DA (2005) Ruthenium hydride and vinyl complexes supported by nitrogen-oxygen mixed-donor ligands (vol 358, pg 3218, 2005). INORG CHIM ACTA , 358 (14) 4413 - 4413. 10.1016/j.ica.2005.09.034.

Wilton-Ely, JDET and Wang, M and Honarkhah, SJ and Tocher, DA (2005) Ruthenium hydride and vinyl complexes supported by nitrogen–oxygen mixed-donor ligands. Inorganica Chimica Acta , 358 3218 - 3226.

Wong, JB and Writer, M and Irvine, S and Tabor, AB and Hart, SL and Hailes, HC (2005) Role of cationic lipids in a non-viral lipid/peptide/DNA (LID) delivery system. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. (pp. U549 - U550). AMER CHEMICAL SOC

Wosholski, R and Hailes, HC and Numbere, MG (2005) Preparation of phenol oligomers as Inhibitors and/Activators of Protein Kinase B (PKB/Akt). 205023744.

Y

Yang, S and Evans, JRG (2005) UNSPECIFIED In: Materials Science Forum. (pp. 749 - 754).

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

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

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

Z

Zhang, T and Hsieh, ML and Branford, WR and Steer, MJ and Stradling, RA and Cohen, LF (2005) Observation of bevelled GaSb/InAs quantum wells by Raman mapping. Journal of Raman Spectroscopy , 36 (10) 978 - 983.

Zhao, YH and Abraham, MH (2005) Octanol/water partition of ionic species. Including 544 cations. Journal of Organic Chemistry , 70 2633 - 2640. 10.1021/jo048078b.

Zunszain, PA and Federico, C and Sechi, M and Al-Damluji, S and Ganellin, CR (2005) Search for the pharmacophore in prazosin for Transport-P. Bioorganic and Medicinal Chemistry , 13 3681 - 3689.

Zwijnenburg, MA and Simperler, A and Wells, SA and Bell, RG (2005) Tetrahedral distortion and energetic packing penalty in "zeolite" frameworks: Linked phenomena? J PHYS CHEM B , 109 (31) 14783 - 14785. 10.1021/jp0531309.

This list was generated on Tue Jun 18 08:05:54 2013 BST.