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Article

Pritchard, J; Kesavan, L; Piccinini, M; He, Q; Tiruvalam, R; Dimitratos, N; ... Hutchings, GJ; + view all (2010) Abstracts on the 15th Conference of GDCh Division for Solid State Chemistry and Material Research. Z ANORG ALLG CHEM , 636 (11) 2034 - 2116.

Meenakshisundaram, S; Nowicka, E; Miedziak, PJ; Brett, GL; Jenkins, RL; Dimitratos, N; ... Hutchings, GJ; + view all (2010) Oxidation of alcohols using supported gold and gold-palladium nanoparticles. FARADAY DISCUSS , 145 341 - 356. 10.1039/b908172k.

Pritchard, J; Kesavan, L; Piccinini, M; He, Q; Tiruvalam, R; Dimitratos, N; ... Hutchings, GJ; + view all (2010) Direct Synthesis of Hydrogen Peroxide and Benzyl Alcohol Oxidation Using Au-Pd Catalysts Prepared by Sol Immobilization. LANGMUIR , 26 (21) 16568 - 16577. 10.1021/la101597q.

Salzmann, CG; Nicolosi, V; Green, MLH; (2010) Edge-carboxylated graphene nanoflakes from nitric acid oxidised arc-discharge material. J MATER CHEM , 20 (2) 314 - 319. 10.1039/b914288f.

Schnabel, M; Nicholls, RJ; Salzmann, CG; Vengust, D; Mihailovic, D; Nellist, PD; Nicolosi, V; (2010) Processing and characterisation of Mo6S2I8 nanowires. PHYS CHEM CHEM PHYS , 12 (2) 433 - 441. 10.1039/b916383b.

Ackrill, T; Anderson, DW; Macmillan, D; (2010) Towards Biomolecular Assembly Employing Extended Native Chemical Ligation in Combination With Thioester Synthesis Using an N -> S Acyl Shift. BIOPOLYMERS , 94 (4) 495 - 503. 10.1002/bip.21473.

Adarsh, NN; Tocher, DA; Ribas, J; Dastidar, P; (2010) Metalla-macro-tricyclic cryptands: anion encapsulation and selective separation of sulfate via in situ crystallization. NEW J CHEM , 34 (11) 2458 - 2469. 10.1039/b9nj00556k.

Adriaens, DA; Goumans, TPM; Catlow, CRA; Brown, WA; (2010) Computational Study of Carbonyl Sulphide Formation on Model Interstellar Dust Grains. J PHYS CHEM C , 114 (4) 1892 - 1900. 10.1021/jp9083212.

Aiken, ZA; Hyett, G; Dunnill, CW; Wilson, M; Pratten, J; Parkin, IP; (2010) Antimicrobial Activity in Thin Films of Pseudobrookite-Structured Titanium Oxynitride under UV Irradiation Observed for Escherichia coli. CHEM VAPOR DEPOS , 16 (1-3) 19 - +. 10.1002/cvde.200904285.

Akthar, FK; Evans, JRG; (2010) High porosity (> 90%) cementitious foams. CEMENT CONCRETE RES , 40 (2) 352 - 358. 10.1016/j.cemconres.2009.10.012.

Albelo, LMR; Ruiz-Salvador, AR; Lewis, DW; Gomez, A; Mialane, P; Marrot, J; ... Mellot-Draznieks, C; + view all (2010) Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and epsilon-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach. PHYS CHEM CHEM PHYS , 12 (30) 8632 - 8639. 10.1039/c004234j.

Albert-Seifried, S; Hodgkiss, JM; Laquai, F; Bronstein, HA; Williams, CK; Friend, RH; (2010) Pressure-induced delocalization of photoexcited states in a semiconducting polymer. Physical Review Letters , 105 (19) , Article 195501 . 10.1103/PhysRevLett.105.195501. Green and gold open access
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Aliev, AE; Courtier-Murias, D; (2010) Experimental Verification of Force Fields for Molecular Dynamics Simulations Using Gly-Pro-Gly-Gly. J PHYS CHEM B , 114 (38) 12358 - 12375. 10.1021/jp101581h.

Aliev, AE; Courtier-Murias, D; Bhandal, S; Zhou, S; (2010) A combined NMR/MD/QM approach for structure and dynamics elucidations in the solution state: pilot studies using tetrapeptides. CHEM COMMUN , 46 (5) 695 - 697. 10.1039/b910499b.

Allen, JP; Scanlon, DO; Watson, GW; (2010) Electronic structure of mixed-valence silver oxide AgO from hybrid density-functional theory. Physical Review B - Condensed Matter and Materials Physics , 81 (16)

Almora-Barrios, N; de Leeuw, NH; (2010) A Density Functional Theory Study of the Interaction of Collagen Peptides with Hydroxyapatite Surfaces. LANGMUIR , 26 (18) 14535 - 14542. 10.1021/la101151e.

Almora-Barrios, N; de Leeuw, NH; (2010) Modelling the interaction of a Hyp-Pro-Gly peptide with hydroxyapatite surfaces in aqueous environment. CRYSTENGCOMM , 12 (3) 960 - 967. 10.1039/b917179g.

Anastasiadis, C; Hogarth, G; Wilton-Ely, JDET; (2010) Functionalised dithiocarbamate complexes: Complexes based on indoline, indole and substituted piperazine backbones - X-ray crystal structure of [Ni(S2CNC3H6C6H4)(2)]. INORG CHIM ACTA , 363 (13) 3222 - 3228. 10.1016/j.ica.2010.05.061.

Anderson, JC; Bou-Moreno, R; (2010) The efficient synthesis of carbodiimides using a titanium imido complex. TETRAHEDRON , 66 (47) 9182 - 9186. 10.1016/j.tet.2010.09.073.

Anderson, JC; Davies, EA; (2010) Diastereoselective synthesis of substituted prolines via 5-endo-trig cyclisations of aza-[2,3]-Wittig sigmatropic rearrangement products. TETRAHEDRON , 66 (33) 6300 - 6308. 10.1016/j.tet.2010.04.095.

Anderson, RL; Ratcliffe, I; Greenwell, HC; Williams, PA; Cliffe, S; Coveney, PV; (2010) Clay swelling - A challenge in the oilfield. EARTH-SCI REV , 98 (3-4) 201 - 216. 10.1016/j.earscirev.2009.11.003.

Annett, JF; Coveney, PV; (2010) Special section: CompSci07, Computational Science 2007: Interdisciplinary challenges and perspectives, from the Grid to e-Science. FUTURE GENER COMP SY , 26 (3) 504 - 505. 10.1016/j.future.2009.10.009.

Antoniadis, CD; D'Oria, E; Karamertzanis, PG; Tocher, DA; Florence, AJ; Price, SL; Jones, AG; (2010) A Computationally Inspired Investigation of the Solid Forms of (R)-1-Phenylethylammonium-(S)-2-phenylbutyrate. CHIRALITY , 22 (4) 447 - 455. 10.1002/chir.20761.

Arlin, JB; Johnston, A; Miller, GJ; Kennedy, AR; Price, SL; Florence, AJ; (2010) A predicted dimer-based polymorph of 10,11-dihydrocarbamazepine (Form IV). CRYSTENGCOMM , 12 (1) 64 - 66. 10.1039/b914365c.

Arnold, PL; Turner, ZR; Kaltsoyannis, N; Pelekanaki, P; Bellabarba, RM; Tooze, RP; (2010) Covalency in Ce-IV and U-IV Halide and N-Heterocyclic Carbene Bonds. CHEM-EUR J , 16 (31) 9623 - 9629. 10.1002/chem.201001471.

Assem, ESK; Mann, S; Wan, BYC; Marson, CM; (2010) Effect of antioxidants on airway smooth muscle contraction: action of lipoic acid and some of its novel derivatives on guinea pig tracheal smooth muscle. INFLAMM RES , 59 235 - 237. 10.1007/s00011-009-0137-0.

Bailey, E; McMillan, PF; (2010) High pressure synthesis of superconducting nitrides in the MoN-NbN system. J Mater Chem , 20 4176 - 4182.

Bailey, E; McMillan, PF; (2010) High pressure synthesis of superconducting nitrides in the MoN-NbN system. J MATER CHEM , 20 (20) 4176 - 4182. 10.1039/b920468g.

Baker, JR; Hothersall, JD; Fitzmaurice, RJ; Tucknott, M; Vinter, A; Tinker, A; Caddick, S; (2010) An efficient asymmetric synthesis of the potent beta-blocker ICI-118,551 allows the determination of enantiomer dependency on biological activity. CHEM COMMUN , 46 (22) 3953 - 3954. 10.1039/c0cc00142b.

Barkalov, OI; Tissen, VG; McMillan, PF; Wilson, M; Sella, A; Nefedova, MV; (2010) Pressure-induced transformations and superconductivity in amorphous germanium. Phys Rev B , 82 020507 - ?. 10.1103/PhysRevB.82.020507.

Barkalov, OI; Tissen, VG; McMillan, PF; Wilson, M; Sella, A; Nefedova, MV; (2010) Pressure-induced transformations and superconductivity of amorphous germanium. PHYS REV B , 82 (2) , Article 020507. 10.1103/PhysRevB.82.020507.

Barrett, AGM; Crimmin, MR; Hill, MS; Hitchcock, PB; Lomas, SL; Mahon, MF; Procopiou, PA; (2010) Carbodiimide insertion reactions of homoleptic heavier alkaline earth amides and phosphides. DALTON T , 39 (31) 7393 - 7400. 10.1039/c0dt00089b.

Barrett, AGM; Crimmin, MR; Hill, MS; Procopiou, PA; (2010) Heterofunctionalization catalysis with organometallic complexes of calcium, strontium and barium. P R SOC A , 466 (2116) 927 - 963. 10.1098/rspa.2009.0558.

Beale, AM; Jacques, SDM; O'Brien, MG; Espinosa-Alonso, L; di'Michel, M; Sochi, T; ... Weckhuysen, BM; + view all (2010) Combined diffraction and absorption tomography for catalyst body profiling during preparation and catalytic reaction. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY , 240

Beale, AM; Jacques, SDM; Weckhuysen, BM; (2010) Chemical imaging of catalytic solids with synchrotron radiation. Chemical Society Reviews , 39 (12) 4656 - 4656. 10.1039/c0cs00089b.

Beale, AM; Weckhuysen, BM; (2010) EXAFS as a tool to interrogate the size and shape of mono and bimetallic catalyst nanoparticles. Physical Chemistry Chemical Physics , 12 (21) 5562 - 5562. 10.1039/b925206a.

Bennett, TD; Tan, JC; Moggach, SA; Galvelis, R; Mellot-Draznieks, C; Reisner, BA; ... Cheetham, AK; + view all (2010) Mechanical properties of dense zeolitic imidazolate frameworks (ZIFs): a high-pressure X-ray diffraction, nanoindentation and computational study of the zinc framework Zn(Im)2, and its lithium-boron analogue, LiB(Im)4. Chemistry , 16 (35) 10684 - 10690. 10.1002/chem.201001415.

Bennewitz, R; Brormann, K; Egberts, P; Gosvami, NN; Hausen, F; Held, C; (2010) Nanotribology - Fundamental Studies of Friction and Plasticity. ADV ENG MATER , 12 (5) 362 - 367. 10.1002/adem.201000088.

Berthon, C; Boubals, N; Charushnikova, IA; Collison, D; Cornet, SM; Auwer, C; ... Scott, BL; + view all (2010) The Reaction Chemistry of Plutonyl(VI) Chloride Complexes with Triphenyl Phosphineoxide and Triphenyl Phosphinimine. INORG CHEM , 49 (20) 9554 - 9562. 10.1021/ic101251a.

Bikondoa, O; Moritz, W; Torrelles, X; Kim, HJ; Thornton, G; Lindsay, R; (2010) Impact of ambient oxygen on the surface structure of alpha-Cr2O3(0001). PHYS REV B , 81 (20) , Article 205439. 10.1103/PhysRevB.81.205439.

Blanazs, AJ; Massignani, M; Battaglia, G; Armes, SP; Ryan, AJ; (2010) Tailoring macromolecular expression at polymersome surfaces. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY , 239

Blunt, MO; Russell, JC; Champness, NR; Beton, PH; (2010) Templating molecular adsorption using a covalent organic framework. Chem Commun (Camb) , 46 (38) 7157 - 7159. 10.1039/c0cc01810d.

Bonomi, M; Barducci, A; Gervasio, FL; Parrinello, M; (2010) Multiple routes and milestones in the folding of HIV-1 protease monomer. PLoS One , 5 (10) , Article e13208. 10.1371/journal.pone.0013208. Green and gold open access
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Boscher, ND; Carmalt, CJ; Parkin, IP; (2010) Atmospheric pressure chemical vapour deposition of NbSe2-TiSe2 composite thin films. APPL SURF SCI , 256 (10) 3178 - 3182. 10.1016/j.apsusc.2009.12.002.

Boyd, WC; Crimmin, MR; Rosebrugh, LE; Schomaker, JM; Bergman, RG; Toste, FD; (2010) Cobalt-Mediated, Enantioselective Synthesis of C-2 and C-1 Dienes. J AM CHEM SOC , 132 (46) 16365 - 16367. 10.1021/ja107968c.

Boyko, TD; Bailey, E; Moewes, A; McMillan, PF; (2010) Class of tunable wide band gap semiconductors gamma-(GexSi1-x)(3)N-4. PHYS REV B , 81 (15) , Article 155207. 10.1103/PhysRevB.81.155207.

Boyko, TD; Moewes, A; Bailey, E; McMillan, PF; (2010) Class of tuneable wide bandgap semiconductors, γ-(GexSi1-x)3N4. Phys Rev B , 81 155207 - ?.

Bras, W; Nikitenko, S; Portale, G; Beale, A; Eerden, AVD; Detollenaere, D; (2010) Combined time-resolved SAXS and X-ray Spectroscopy methods. Journal of Physics: Conference Series , 247 012047 - 012047. 10.1088/1742-6596/247/1/012047.

Brent, R; Anderson, MW; Lobo, AJW; Lewis, DW; (2010) Modifying the crystal habit of zeolite L by addition of an organic space filler. Journal of Physical Chemistry C , 114 (42) 18240 - 18246. 10.1021/jp1067445.

Brent, R; Cubillas, P; Stevens, SM; Jelfs, KE; Umemura, A; Gebbie, JT; ... Anderson, MW; + view all (2010) Unstitching the Nanoscopic Mystery of Zeolite Crystal Formation. J AM CHEM SOC , 132 (39) 13858 - 13868. 10.1021/ja105593v.

Briquet, LGV; Catlow, CRA; French, SA; (2010) Structure and Reactivity of Aluminum Oxide Supported Nickel Clusters. J PHYS CHEM C , 114 (50) 22155 - 22158. 10.1021/jp101710v.

Brown, L; McArthur, SL; Wright, PC; Lewis, A; Battaglia, G; (2010) Polymersome production on a microfluidic platform using pH sensitive block copolymers. Lab Chip , 10 (15) 1922 - 1928. 10.1039/c004036c.

Burke, DJ; Brown, WA; (2010) Ice in space: surface science investigations of the thermal desorption of model interstellar ices on dust grain analogue surfaces. PHYS CHEM CHEM PHYS , 12 (23) 5947 - 5969. 10.1039/b917005g.

Busayaporn, W; Torrelles, X; Wander, A; Tomic, S; Ernst, A; Montanari, B; ... Lindsay, R; + view all (2010) Geometric structure of TiO2(110)(1X1): Confirming experimental conclusions. PHYS REV B , 81 (15) , Article 153404. 10.1103/PhysRevB.81.153404.

Busurin, SM; Kuznetsov, MV; Morozov, YG; Busurina, ML; Parkin, IP; (2010) The influence of a dc electric field on chemical interactions in "peroxide-metal'' systems during combustion processes. NEW J CHEM , 34 (3) 391 - 394. 10.1039/b9nj00579j.

Bučar, D-K; Lou, X; Zhang, GGZ; MacGillivray, LR; Henry, RF; Duerst, RW; (2010) A 1:1 cocrystal of caffeine and 2-hydroxy-1-naphthoic acid obtained via a slurry screening method. Journal of Chemical Crystallography , 40 (11) 933 - 939. 10.1007/s10870-010-9766-y.

Cabrera, RQ; Long, D-L; Cronin, L; McMillan, PF; (2010) In situ investigations of the polyoxometalate Trojan Horse compound K7Na[(W18O56)-O-VI(SO3)(2)(H2O)(2)]center dot 20H(2)O under high temperature and high pressure conditions. CRYSTENGCOMM , 12 (9) 2568 - 2572. 10.1039/c003388j.

Caruana, DJ; Holt, KB; (2010) Astroelectrochemistry: the role of redox reactions in cosmic dust chemistry. PHYS CHEM CHEM PHYS , 12 (13) 3072 - 3079. 10.1039/b917817a.

Caruana, DJ; Howorka, S; (2010) Biosensors and biofuel cells with engineered proteins. MOL BIOSYST , 6 (9) 1548 - 1556. 10.1039/c004951d.

Cates, ME; Henrich, O; Marenduzzo, D; Stratford, K; (2010) Lattice Boltzmann simulations of liquid crystalline fluids: active gels and blue phases. Soft Matter , 5 3791 - ?.

Catlow, CRA; Bromley, ST; Hamad, S; Mora-Fonz, M; Sokol, AA; Woodley, SM; (2010) Modelling nano-clusters and nucleation. PHYS CHEM CHEM PHYS , 12 (4) 786 - 811. 10.1039/b916069h.

Catlow, CRA; Guo, ZX; Miskufova, M; Shevlin, SA; Smith, AGH; Sokol, AA; ... Woodley, SM; + view all (2010) Advances in computational studies of energy materials. PHILOS T R SOC A , 368 (1923) 3379 - 3456. 10.1098/rsta.2010.0111.

Cazares, A; Galman, JL; Crago, LG; Smith, MEB; Strafford, J; Rios-Solis, L; ... Hailes, HC; + view all (2010) Non-alpha-hydroxylated aldehydes with evolved transketolase enzymes. ORG BIOMOL CHEM , 8 (6) 1301 - 1309. 10.1039/b924144b.

Cazorla, C; Shevlin, SA; Guo, ZX; (2010) First-principles study of the stability of calcium-decorated carbon nanostructures. PHYS REV B , 82 (15) , Article 155454. 10.1103/PhysRevB.82.155454.

Chapman, HA; Herbal, K; Motherwell, WB; (2010) Studies towards the Taming of the 'Carbocation' in the Regioselective Ring Opening of Epoxides to Allylic Alcohols. SYNLETT (4) 595 - 598. 10.1055/s-0029-1219373.

Chaudhry, BR; Wilton-Ely, JDET; Tabor, AB; Caruana, DJ; (2010) Effect of peptide orientation on electron transfer. PHYS CHEM CHEM PHYS , 12 (34) 9996 - 9998. 10.1039/c0cp00226g.

Chauke, HR; Murovhi, P; Ngoepe, PE; de Leeuw, NH; Grau-Crespo, R; (2010) Electronic Structure and Redox Properties of the Ti-Doped Zirconia (111) Surface. J PHYS CHEM C , 114 (36) 15403 - 15409. 10.1021/jp103181q.

Chen, LF; Evans, JRG; (2010) Drying of colloidal droplets on superhydrophobic surfaces. J COLLOID INTERF SCI , 351 (1) 283 - 287. 10.1016/j.jcis.2010.07.037.

Chen, LF; Evans, JRG; (2010) Spontaneous manufacturing: alumina 128-well plates made by droplet drying. ADV APPL CERAM , 109 (1) 51 - 55. 10.1179/174367609X456020.

Chen, SY; Gong, XG; Walsh, A; Wei, SH; (2010) Defect physics of the kesterite thin-film solar cell absorber Cu2ZnSnS4. APPL PHYS LETT , 96 (2) , Article 021902. 10.1063/1.3275796.

Chen, SY; Walsh, A; Luo, Y; Yang, JH; Gong, XG; Wei, SH; (2010) Wurtzite-derived polytypes of kesterite and stannite quaternary chalcogenide semiconductors. PHYS REV B , 82 (19) , Article 195203. 10.1103/PhysRevB.82.195203.

Chen, SY; Yang, JH; Gong, XG; Walsh, A; Wei, SH; (2010) Intrinsic point defects and complexes in the quaternary kesterite semiconductor Cu2ZnSnS4. PHYS REV B , 81 (24) , Article 245204. 10.1103/PhysRevB.81.245204.

Chetwynd, A; Wee, CL; Hall, BA; Sansom, MS; (2010) The energetics of transmembrane helix insertion into a lipid bilayer. Biophys J , 99 (8) 2534 - 2540. 10.1016/j.bpj.2010.08.002.

Chiva, A; Williams, DE; Tabor, AB; Hailes, HC; (2010) Screening of polymeric supports and enzymes for the development of an endo enzyme cleavable linker. TETRAHEDRON LETT , 51 (20) 2720 - 2723. 10.1016/j.tetlet.2010.03.040.

Choudhary, A; Kamer, KJ; Powner, MW; Sutherland, JD; Raines, RT; (2010) A stereoelectronic effect in prebiotic nucleotide synthesis. ACS Chem Biol , 5 (7) 655 - 657. 10.1021/cb100093g.

Christie, JK; Tilocca, A; (2010) Aluminosilicate Glasses As Yttrium Vectors for in situ Radiotherapy: Understanding Composition-Durability Effects through Molecular Dynamics Simulations. CHEM MATER , 22 (12) 3725 - 3734. 10.1021/cm100847p.

Christie, JK; Tilocca, A; (2010) Short-Range Structure of Yttrium Alumino-Silicate Glass for Cancer Radiotherapy: Car-Parrinello Molecular Dynamics Simulations. ADVANCED ENGINEERING MATERIALS , 12 (7) B326 - B330. 10.1002/adem.200980081.

Chrzanowski, W; Valappil, SP; Dunnill, CW; Abou Neel, EA; Lee, K; Parkin, IP; ... Knowles, JC; + view all (2010) Impaired bacterial attachment to light activated Ni-Ti alloy. MAT SCI ENG C-MATER , 30 (2) 225 - 234. 10.1016/j.msec.2009.10.003.

Chubb, D; Jefferys, BR; Sternberg, MJE; Kelley, LA; (2010) Sequencing delivers diminishing returns for homology detection: implications for mapping the protein universe. BIOINFORMATICS , 26 (21) 2664 - 2671. 10.1093/bioinformatics/btq527.

Chudasama, V; Fitzmaurice, RJ; Ahern, JM; Caddick, S; (2010) Dioxygen mediated hydroacylation of vinyl sulfonates and sulfones on water. CHEM COMMUN , 46 (1) 133 - 135. 10.1039/b914563j.

Chudasama, V; Fitzmaurice, RJ; Caddick, S; (2010) Hydroacylation of alpha,beta-unsaturated esters via aerobic C-H activation. NAT CHEM , 2 (7) 592 - 596. 10.1038/NCHEM.685.

Colley, HE; Hearnden, V; Murdoch, C; Armes, S; Battaglia, G; Thornhill, MH; (2010) Using polymersomes to deliver chemotherapeutic agents to oral cancer cells. ORAL DISEASES , 16 (6) 527 - 527.

Colman, RH; Sinclair, A; Wills, AS; (2010) Comparisons between Haydeeite, alpha-Cu3Mg(OD)(6)Cl-2, and Kapellasite, alpha-Cu3Zn(OD)(6)Cl-2, Isostructural S=1/2 Kagome Magnets. CHEM MATER , 22 (20) 5774 - 5779. 10.1021/cm101594c.

Coreno, M; de Simone, M; Coates, R; Denning, MS; Denning, RG; Green, JC; ... Sella, A; + view all (2010) Variable Photon Energy Photoelectron Spectroscopy and Magnetism of YbCp3 and LuCp3. ORGANOMETALLICS , 29 (21) 4752 - 4755. 10.1021/om100240m.

Coveney, PV; Giupponi, G; Jha, S; Manos, S; MacLaren, J; Pickles, SM; ... Zasada, SJ; + view all (2010) Large scale computational science on federated international grids: The role of switched optical networks. FUTURE GENER COMP SY , 26 (1) 99 - 110. 10.1016/j.future.2008.09.013.

Coveney, PV; Saksena, RS; (2010) Mesoscale simulations of the rheology of periodic cubic and smectic mesophases in ternary amphiphilic mixtures. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY , 239

Coveney, PV; Wright, DW; Sadiq, SK; (2010) Rapid and Accurate Binding Free Energy Prediction for Inhibitor-Bound HIV-1 Enzymes. BIOPHYSICAL JOURNAL , 98 (3) 572A - 572A.

Cremer, T; Kolbeck, C; Lovelock, KRJ; Paape, N; Wolfel, R; Schulz, PS; ... Steinruck, HP; + view all (2010) Towards a Molecular Understanding of Cation-Anion Interactions-Probing the Electronic Structure of Imidazolium Ionic Liquids by NMR Spectroscopy, X-ray Photoelectron Spectroscopy and Theoretical Calculations. CHEM-EUR J , 16 (30) 9018 - 9033. 10.1002/chem.201001032.

Crick, CR; Parkin, IP; (2010) Preparation and Characterisation of Super-Hydrophobic Surfaces. CHEM-EUR J , 16 (12) 3568 - 3588. 10.1002/chem.200903335.

Crick, CR; Parkin, IP; (2010) Superhydrophobic polymer films via aerosol assisted deposition - Taking a leaf out of nature's book. THIN SOLID FILMS , 518 (15) 4328 - 4335. 10.1016/j.tsf.2010.02.040.

Crimmin, MR; Hill, MS; Hitchcock, PB; Mahon, MF; (2010) Synthesis of beta-diketiminato calcium silylamides and their reactions with triethylaluminium. NEW J CHEM , 34 (8) 1572 - 1578. 10.1039/c0nj00042f.

Curto, AG; Volpe, G; Taminiau, TH; Kreuzer, MP; Quidant, R; Van Hulst, NF; (2010) Unidirectional emission of a quantum dot coupled to a nanoantenna. Science , 329 (5994) 930 - 933. 10.1126/science.1191922.

Curto, AG; Volpe, G; Taminiau, TH; Kreuzer, MP; Quidant, R; van Hulst, NF; (2010) Unidirectional emission of a quantum dot coupled to a nanoantenna. Science , 329 (5994) 930 - 933. 10.1126/science.1191922.

D'Oria, E; Karamertzanis, PG; Price, SL; (2010) Spontaneous Resolution of Enantiomers by Crystallization: Insights from Computed Crystal Energy Landscapes. CRYST GROWTH DES , 10 (4) 1749 - 1756. 10.1021/cg9014306.

Daisenberger, D; MCMILLAN, P; Wilson, M; (2010) Crystal-liquid interfaces and phase relations in silicon at positive and negative pressure. Phys Rev B , 82 214101 - ?. 10.1103/PhysRevB.82.214101.

Daisenberger, D; McMillan, PF; Wilson, M; (2010) Crystal-liquid interfaces and phase relations in stable and metastable silicon at positive and negative pressure. PHYS REV B , 82 (21) , Article 214101. 10.1103/PhysRevB.82.214101.

De Cecco, M; Seo, ES; Clarke, DJ; McCullough, BJ; Taylor, K; Macmillan, D; ... Barran, PE; + view all (2010) Conformational Preferences of Linear beta-Defensins Are Revealed by Ion Mobility-Mass Spectrometry. J PHYS CHEM B , 114 (6) 2312 - 2318. 10.1021/jp9111662.

de la Pena O'Shea, VA; Moreira, IDPR; Roldan, A; Illas, F; (2010) Electronic and magnetic structure of bulk cobalt: The alpha, beta, and epsilon-phases from density functional theory calculations. JOURNAL OF CHEMICAL PHYSICS , 133 (2) , Article ARTN 024701. 10.1063/1.3458691.

de Leeuw, NH; (2010) Computer simulations of structures and properties of the biomaterial hydroxyapatite. J MATER CHEM , 20 (26) 5376 - 5389. 10.1039/b921400c.

de Leeuw, NH; Catlow, CRA; King, HE; Putnis, A; Muralidharan, K; Deymier, P; ... Drake, MJ; + view all (2010) Where on Earth has our water come from? CHEM COMMUN , 46 (47) 8923 - 8925. 10.1039/c0cc02312d.

Deng, HX; Li, JB; Li, SS; Xia, JB; Walsh, A; Wei, SH; (2010) Origin of antiferromagnetism in CoO: A density functional theory study. APPL PHYS LETT , 96 (16) , Article 162508. 10.1063/1.3402772.

Devey, A; de Leeuw, NH; (2010) Density functional theory study of the high- and low-temperature phases of cubic iron sulfide. PHYS REV B , 82 (23) , Article 235112. 10.1103/PhysRevB.82.235112.

Di Tommaso, D; de Leeuw, NH; (2010) First Principles Simulations of the Structural and Dynamical Properties of Hydrated Metal Ions Me2+ and Solvated Metal Carbonates (Me = Ca, Mg, and Sr). CRYST GROWTH DES , 10 (10) 4292 - 4302. 10.1021/cg100055p.

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Zhang, YM; Evans, JRG; Yang, S; (2010) The prediction of solid solubility of alloys: Developments and applications of Hume-Rothery’s rules. Journal of Crystallization Physics and Chemistry , 1 81 - 97.

Zhang, YM; Evans, JRG; Yang, SF; (2010) Detection of material property errors in handbooks and databases using artificial neural networks with hidden correlations. PHILOS MAG , 90 (33) 4453 - 4474. 10.1080/14786435.2010.510452.

Zhang, Z; Goodall, JBM; Brown, S; Karlsson, L; Clark, RJH; Hutchison, JL; ... Darr, JA; + view all (2010) Continuous hydrothermal synthesis of extensive 2D sodium titanate (Na2Ti3O7) nano-sheets. DALTON T , 39 (3) 711 - 714. 10.1039/b915699b.

Zhu, R; Howorka, S; Proll, J; Kienberger, F; Preiner, J; Hesse, J; ... Hinterdorfer, P; + view all (2010) Nanomechanical recognition measurements of individual DNA molecules reveal epigenetic methylation patterns. NAT NANOTECHNOL , 5 (11) 788 - 791. 10.1038/NNAN0.2010.212.

Zwijnenburg, MA; Bromley, ST; (2010) Zeolite synthesis: an energetic perspective. PHYS CHEM CHEM PHYS , 12 (43) 14579 - 14584. 10.1039/c0cp01045f.

Zwijnenburg, MA; Illas, F; Bromley, ST; (2010) Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids. PHYS REV LETT , 104 (17) , Article 175503. 10.1103/PhysRevLett.104.175503. Green and gold open access
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Zwijnenburg, MA; Jelfs, KE; Bromley, ST; (2010) An extensive theoretical survey of low-density allotropy in silicon. PHYS CHEM CHEM PHYS , 12 (30) 8505 - 8512. 10.1039/c004375c.

Book chapter

Aliev, AE; Law, RV; (2010) Solid-state NMR spectroscopy. In: Webb, GA and Kamienska-Trela, K, (eds.) Nuclear Magnetic Resonance. (227 - 267). RSC Publishing: Cambridge.

Fielding, HH; Nunn, ADG; (2010) Femtochemistry and the control of chemical reactivity. In: Brouard, M and Vallance, C, (eds.) Tutorials in Molecular Reaction Dynamics. Royal Society of Chemistry

GOSVAMI, N; O'Shea, SJ; (2010) Conducting Atomic Force Microscopy in Liquids. In: Tomczak, N and Goh, KEJ, (eds.) Scanning Probe Microscopy. (? - ?). World Scientific Publishing Company

Kinski, I; Mcmillan, PF; (2010) Gallium Nitride and Oxonitrides. In: UNSPECIFIED (91 - 130).

LOVELOCK, K; Licence, P; Walsh, DA; (2010) Scanning Electrochemical Microscopy In Ionic Liquids. In: Torriero, AAJ and Shiddiky, MJA, (eds.) Electrochemical Properties and Applications of Ionic Liquids. (? - ?). Nova Science Publishers

McMillan, PF; (2010) High pressure synthesis of materials. In: Boldyreva, E, (ed.) High-Pressure Crystallography: From Fundamental Phenomena to Technological Applications. (469 - 479). Springer: Dordrecht, The Netherlands.

McMillan, PF; Daisenberger, D; Quesada Cabrera, R; Meersman, F; (2010) Amorphous X-ray diffraction at high pressure: polyamorphic silicon and amyloid fibrils. In: Boldyreva, E and Dera, P, (eds.) High-Pressure Crystallography: From Fundamental Phenomena to Technological Applications. (373 - 384). Springer: Dordrecht, the Netherlands.

Pang, CL; Thornton, G; (2010) Scanning tunneling microscopy in surface science, nanoscience and catalysis. In: Bowker, M and Davies, PR, (eds.) Scanning tunneling microscopy in surface science, nanoscience and catalysis. (? - ?). Vch Pub

Proceedings paper

Villa, A; Wang, D; Dimitratos, N; Su, DS; Trevisan, V; Prati, L; (2010) Pd on carbon nanotubes for liquid phase alcohol oxidation. In: CATALYSIS TODAY. (pp. 8 - 15). ELSEVIER SCIENCE BV

Afonja, A; Binions, R; Dungey, S; Parkin, IP; Lewis, DW; Williams, DE; (2010) Zeolites as transformation elements in discriminating semiconductor metal oxide sensors. In: Jakoby, B and Vellekoop, MJ, (eds.) EUROSENSORS XXIV CONFERENCE. (pp. 103 - 106). ELSEVIER SCIENCE BV

Anderson, RL; Greenwell, HC; Suter, JL; Jarvis, RM; Coveney, PV; (2010) Towards the design of new and improved drilling fluid additives using molecular dynamics simulations. In: ANAIS DA ACADEMIA BRASILEIRA DE CIENCIAS. (pp. 43 - 60). ACAD BRASILEIRA DE CIENCIAS Gold open access

Cooper, J; Cervenansky, F; De Fabritiis, G; Fenner, J; Friboulet, D; Giorgino, T; ... Coveney, PV; + view all (2010) The Virtual Physiological Human TOOLKIT. In: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. (pp. 3925 - 3936). ROYAL SOC

Curto, AG; Taminiau, TH; Volpe, G; Kreuzer, M; Quidant, R; van Hulst, NF; IEEE,; (2010) A NANO-OPTICAL YAGI-UDA ANTENNA DRIVEN BY SINGLE EMITTERS. In: PROCEEDINGS OF THE FOURTH EUROPEAN CONFERENCE ON ANTENNAS AND PROPAGATION.

de Leeuw, NH; (2010) DFT calculations and molecular dynamics simulations of the nucleation of hydroxyapatite at a collagen molecule. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A220 - A220). PERGAMON-ELSEVIER SCIENCE LTD

de Leeuw, NH; (2010) The effect of mineral surface geometries on the structure of interfacial water. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A219 - A219). PERGAMON-ELSEVIER SCIENCE LTD

Di Tommaso, D; de Leeuw, NH; (2010) Modelling the nucleation of metal carbonates: The importance of the hydration shell in the monomer formation. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A236 - A236). PERGAMON-ELSEVIER SCIENCE LTD

Fielding, HH; (2010) Femtosecond Dynamics and Control: From Rydberg Molecules to Photochemistry and Photobiology. In: Hall, TJ and Gaponenko, SV and Paredes, SA, (eds.) EXTREME PHOTONICS AND APPLICATIONS. (pp. 19 - 35). SPRINGER

Gosvami, NN; Filleter, T; Egberts, P; Bennewitz, R; (2010) Microscopic Friction Studies on Metal Surfaces. In: TRIBOLOGY LETTERS. (pp. 19 - 24). SPRINGER/PLENUM PUBLISHERS

Hunter, P; Coveney, PV; de Bono, B; Diaz, V; Fenner, J; Frangi, AF; ... Viceconti, M; + view all (2010) A vision and strategy for the virtual physiological human in 2010 and beyond. In: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. (pp. 2595 - 2614). ROYAL SOC

Kafizas, A; Dunnill, CW; Hyett, G; Parkin, IP; (2010) Combinatorial CVD: New Oxynitride Photocatalysts. In: OXIDE FILMS. (pp. 139 - 154).

Lee, Y; Lu, X; Hao, Y; Yang, S; Evans, JRG; Parini, CG; (2010) Narrow-beam azimuthally omni-directional millimetre-wave antenna using freeformed cylindrical woodpile cavity. In: IET MICROWAVES ANTENNAS & PROPAGATION. (pp. 1491 - 1499). INST ENGINEERING TECHNOLOGY-IET

McMillan, PF; Daisenberger, D; Cabrera, RQ; Meersman, F; (2010) AMORPHOUS X-RAY DIFFRACTION AT HIGH PRESSURE: POLYAMORPHIC SILICON AND AMYLOID FIBRILS. In: Boldyreva, E and Dera, P, (eds.) HIGH-PRESSURE CRYSTALLOGRAPHY: FROM FUNDAMENTAL PHENOMENA TO TECHNOLOGICAL APPLICATIONS. (pp. 469 - 479). SPRINGER

O'Shea, SJ; Gosvami, NN; Lim, LTW; Hofbauer, W; (2010) Liquid Atomic Force Microscopy: Solvation Forces, Molecular Order, and Squeeze-Out. In: JAPANESE JOURNAL OF APPLIED PHYSICS. (pp. ? - ?). JAPAN SOC APPLIED PHYSICS

Ruiz-Agudo, E; Putnis, CV; Di Tommaso, D; De Leeuw, NH; Putnis, A; (2010) Effect of phosphonates on calcite-solution reactions. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A891 - A891). PERGAMON-ELSEVIER SCIENCE LTD

Sarantaridis, D; Caruana, DJ; (2010) Flame Plasma Electrochemical Sensor for Airborne Particulates: the Case of Pollen. In: PHYSICAL AND ANALYTICAL ELECTROCHEMISTRY (GENERAL) - 217TH ECS MEETING. (pp. 39 - 47).

Steiner, P; Gnecco, E; Filleter, T; Gosvami, NN; Maier, S; Meyer, E; Bennewitz, R; (2010) Atomic Friction Investigations on Ordered Superstructures. In: TRIBOLOGY LETTERS. (pp. 321 - 327). SPRINGER/PLENUM PUBLISHERS

Swadling, JB; Coveney, PV; Greenwell, HC; (2010) Computer simulation study of the interaction of RNA with montmorillonite clay. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A1012 - A1012). PERGAMON-ELSEVIER SCIENCE LTD

Tang, E; Di Tommaso, D; de Leeuw, NH; (2010) An Ab Initio Molecular Dynamics Study of Bioactive Phosphate Glasses. In: ADVANCED ENGINEERING MATERIALS. (pp. B331 - B338). WILEY-V C H VERLAG GMBH

Thrower, JD; Abdulgalil, AGM; Collings, MP; McCoustra, MRS; Burke, DJ; Brown, WA; ... Rutten, FJM; + view all (2010) Photon- and electron-stimulated desorption from laboratory models of interstellar ice grains. In: JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A. (pp. 799 - 806). A V S AMER INST PHYSICS

Volpe, G; Cherukulappurath, S; Roser Juanola, P; Molina-Terriza, G; Quidant, R; IEEE,; (2010) Shaping the Optical Response of Nanoantennas. In: PROCEEDINGS OF THE FOURTH EUROPEAN CONFERENCE ON ANTENNAS AND PROPAGATION.

Zasada, SJ; Coveney, PV; (2010) Computational Biomedicine: The Role of Workflow Tools. In: ICCS 2010 - INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE, PROCEEDINGS. (pp. 2747 - 2755). ELSEVIER SCIENCE BV

Thesis

Ahmed, N.; (2010) Computer simulation of dipole-dipole interactions towards understanding nanostructure formation. Doctoral thesis, UCL (University College London). Green open access
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Almora Barrios, N.; (2010) A computational investigation of the interaction of the collagen molecule with hydroxyapatite. Doctoral thesis, UCL (University College London). Green open access
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Benny, S.; (2010) High temperature water gas shift catalysts: a computer modelling study. Doctoral thesis, UCL (University College London). Green open access
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Bou-Moreno, R.; (2010) The design and synthesis of complexes for the activation of carbon dioxide. Doctoral thesis, UCL (University College London). Green open access
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Briquet, L.G.V.; (2010) Modelling active sites of supported metal catalysts. Doctoral thesis, UCL (University College London).

Butler, K.T.; (2010) Multi-scale modelling of proto-zeolitic solutions. Doctoral thesis, UCL (University College London). Green open access
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Calder, S.; (2010) Investigation of geometric frustration in magnetic oxides. Doctoral thesis, UCL (University College London). Green open access
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Coates, R.; (2010) Oxidation state ambiguities in cerium organometallics - a computational approach. Doctoral thesis, UCL (University College London). Green open access
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Courtier Murias, D.; (2010) Molecular dynamics in collagen and model peptides. Doctoral thesis, UCL (University College London).

Culme-Seymour, E.J.; (2010) Engineering the growth substrate for embryonic stem cell processing. Doctoral thesis, UCL (University College London). Green open access
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Devey, A.J.; (2010) Computer modelling studies of mackinawite, greigite and cubic FeS. Doctoral thesis, UCL (University College London). Green open access
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Edridge, J.L.; (2010) Adsorption and desorption of model interstellar ices on a dust grain analogue surface. Doctoral thesis, UCL (University College London). Green open access
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Galman, J.; (2010) Biocatalytic and organocatalytic approaches to ketodiol synthesis. Doctoral thesis, UCL (University College London). Green open access
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Gil Lostes, J.; (2010) A study of chemosensory effects of volatile organic compounds on humans. Doctoral thesis, UCL (University College London). Green open access
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Hu, X.; (2010) First principles studies of water and ice on oxide surfaces. Doctoral thesis, UCL (University College London). Green open access
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Islam, F.; (2010) The formation of molecular hydrogen in the interstellar medium. Doctoral thesis, UCL (University College London). Green open access
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Jelfs, K.E.; (2010) Modelling the growth of zeolitic materials. Doctoral thesis, UCL (University College London).

Kenway, O.A.; (2010) Molecular dynamics simulations of complex systems including HIV-1 protease. Doctoral thesis, UCL (University College London). Green open access
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Kilmartin, J.P.; (2010) Molecular gold clusters as precursors to heterogeneous catalysts. Doctoral thesis, UCL (University College London). Green open access
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Kinns, H.J.; (2010) Mapping the molecular structure of the S-layer protein SbsB. Doctoral thesis, UCL (University College London).

Knapp, C.E.; (2010) Synthesis, chemical vapour deposition and structural studies of group 13 alkoxides. Doctoral thesis, UCL (University College London). Green open access
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Latimer, E.; (2010) Experimental studies of surface and gas-phase processes relevant to the interstellar medium and planetary atmospheres. Doctoral thesis, UCL (University College London). Green open access
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Lee, C.C.; (2010) Synthetic approaches to biologically active sulfonates and sulfonamides. Doctoral thesis, UCL (University College London). Green open access
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Luengo Arratta, S.; (2010) Intramolecular ene reactions of functionalised nitroso compounds. Doctoral thesis, UCL (University College London). Green open access
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Mazzeo, M.D.; (2010) Lattice-Boltzmann simulations of cerebral blood flow. Doctoral thesis, UCL (University College London). Green open access
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Michel, M.R.; (2010) Electronic structure study of copper-containing perovskites. Doctoral thesis, UCL (University College London). Green open access
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Mills, M.R.; (2010) The development of a one-pot 1,4-addition/nitro-Mannich reaction. Doctoral thesis, UCL (University College London). Green open access
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Mitchell, N.J.; (2010) Application of chemically modified oligonucleotides in nanopore sensing and DNA nano – biotechnology. Doctoral thesis, UCL (University College London). Green open access
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Nunn, A.; (2010) Experimental and theoretical investigations of the photochemistry of styrene and the creation and characterisation of shaped femtosecond ultraviolet laser pulses. Doctoral thesis, UCL (University College London). Green open access
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Ryan, C.P.; (2010) Advances in organometallic and protein chemistry. Doctoral thesis, UCL (University College London). Green open access
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Salamat, N.; (2010) High pressure solid state chemistry of C-N-H and Ti-N systems. Doctoral thesis, UCL (University College London). Green open access
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Sharma, B.K.; (2010) Intermediate-range order in molten network-forming systems. Doctoral thesis, UCL (University College London). Green open access
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Thomas, L.; (2010) Nanoparticle synthesis for magnetic hyperthermia. Doctoral thesis, UCL (University College London). Green open access
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Welch, G.W.A.; (2010) The induction contribution to the lattice energy of organic crystals. Doctoral thesis, UCL (University College London). Green open access
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Xia, X.; (2010) Computational modelling study of yttria-stabilized zirconia. Doctoral thesis, UCL (University College London). Green open access
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This list was generated on Sun Nov 23 12:17:03 2014 GMT.