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Number of items: 351.

A

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

B

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Bisson, W and Wills, AS (2006) The origin of the spin glass transition in a model geometrically frustrated magnet.

Blanchard, M and Wright, K and Catlow, CRA (2006) Arsenic incorporation in FeS2 pyrite. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A54 - A54). PERGAMON-ELSEVIER SCIENCE LTD

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

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

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

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

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

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

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

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

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

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

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

Burnside, P and Price, SD (2006) Electron transfer and bond-forming reactions following collisions of SF2+ with Ar. International Journal of Mass Spectrometry , 249-250 279 - 288. 10.1016/j.ijms.2005.12.015.

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

C

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Chi, X and Yang, HY and Yang, S and Evans, JRG (2006) Direct extrusion freeforming of ceramic pastes. In: Solid Freeform Fabrication Proceedings. (pp. 304 - 315). University of Texas at Austin: Austin, Texas, USA.

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

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

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

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

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

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

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

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

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

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

Creighan, SC and Perry, JSA and Price, SD (2006) The rovibrational distribution of H2 and HD formed on a graphite surface at 15-50 K. The Journal of Chemical Physics , 124 114701 - ?. 10.1063/1.2174878.

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

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

D

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

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

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

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

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

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

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

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

De Fabritiis, G and Delgado-Buscalioni, R and Coveney, PV (2006) Multiscale modeling of liquids with molecular specificity. PHYS REV LETT , 97 (13) , Article 134501. 10.1103/PhysRevLett.97.134501.
An open access publication. A version is also available from UCL Discovery.

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

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

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

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

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

Deeming, AJ and Forth, C and Hogarth, G (2006) Synthesis of cis-[Ru(CO)2(S2X)2][X=CNMe2, COEt, PPh2, P(OEt)2] and molecular structure of [Ru(CO){?2-S2P(OEt)2}{?,?1,?2-S2P. Transition Metal Chemistry , 31 42 - 45.

Delgado-Buscalioni, R and Coveney, PV (2006) Structure of a tethered polymer under flow using molecular dynamics and hybrid molecular-continuum simulations. In: PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS. (pp. 30 - 35). ELSEVIER SCIENCE BV

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

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

Du, Z and Alexandrov, VN and Alfredsson, M and Artacho, E and Austen, KF and Bennett, ND and Blanchard, M and Brodholt, JP and Bruin, RP and Catlow, CRA and Chapman, C and Cooke, DJ and Cooper, TG and Dove, MT and Emmerich, W and Hasan, SM and Kerisit, S and de Leeuw, NH and Lewis, GJ and Marmier, A and Parker, SC and Price, GD and Smith, W and Todorov, IT and Tyer, RP and van Dam, KK and Walker, AM and White, TOH and Wright, K (2006) A virtual research organization enabled by eMinerals minigrid: an integrated study of the transport and immobilization of arsenic species in the environment. In: Cox, SJ, (ed.) Proceedings of the UK e-Science All Hands Meeting 2006. (pp. 481 - 488). NATL E-SCIENCE CENTRE

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

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

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

E

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

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

F

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