UCL Discovery

A

Ackrill, T and Anderson, DW and 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 and Tocher, DA and Ribas, J and 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 and Goumans, TPM and Catlow, CRA and 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.

Afonja, A and Binions, R and Dungey, S and Parkin, IP and Lewis, DW and 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

Ahmed, N. (2010) Computer simulation of dipole-dipole interactions towards understanding nanostructure formation. Doctoral thesis, UCL (University College London). An open access version is available from UCL Discovery

Aiken, ZA and Hyett, G and Dunnill, CW and Wilson, M and Pratten, J and 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 and Evans, JRG (2010) High porosity (> 90%) cementitious foams. CEMENT CONCRETE RES , 40 (2) 352 - 358. 10.1016/j.cemconres.2009.10.012.

Albelo, LMR and Ruiz-Salvador, AR and Lewis, DW and Gomez, A and Mialane, P and Marrot, J and Dolbecq, A and Sampieri, A and Mellot-Draznieks, C (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 and Hodgkiss, JM and Laquai, F and Bronstein, HA and Williams, CK and Friend, RH (2010) Pressure-induced delocalization of photoexcited states in a semiconducting polymer. Phys Rev Lett , 105 (19) 195501 - ?.

Aliev, AE and 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 and Courtier-Murias, D and Bhandal, S and 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.

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

Almora Barrios, N. (2010) A computational investigation of the interaction of the collagen molecule with hydroxyapatite. Doctoral thesis, UCL (University College London). An open access version is available from UCL Discovery

Almora-Barrios, N and 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 and 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 and Hogarth, G and 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 and 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 and 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 and Greenwell, HC and Suter, JL and Jarvis, RM and 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 An open access publication

Anderson, RL and Ratcliffe, I and Greenwell, HC and Williams, PA and Cliffe, S and 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 and 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 and D'Oria, E and Karamertzanis, PG and Tocher, DA and Florence, AJ and Price, SL and 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 and Johnston, A and Miller, GJ and Kennedy, AR and Price, SL and Florence, AJ (2010) A predicted dimer-based polymorph of 10,11-dihydrocarbamazepine (Form IV). CRYSTENGCOMM , 12 (1) 64 - 66. 10.1039/b914365c.

Arnold, PL and Turner, ZR and Kaltsoyannis, N and Pelekanaki, P and Bellabarba, RM and 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 and Mann, S and Wan, BYC and 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.

B

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

Bailey, E and 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 and Hothersall, JD and Fitzmaurice, RJ and Tucknott, M and Vinter, A and Tinker, A and 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 and Tissen, VG and McMillan, PF and Wilson, M and Sella, A and Nefedova, MV (2010) Pressure-induced transformations and superconductivity in amorphous germanium. Phys Rev B , 82 020507 - ?. 10.1103/PhysRevB.82.020507.

Barkalov, OI and Tissen, VG and McMillan, PF and Wilson, M and Sella, A and 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 and Crimmin, MR and Hill, MS and Hitchcock, PB and Lomas, SL and Mahon, MF and 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 and Crimmin, MR and Hill, MS and 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.

Bennett, TD and Tan, JC and Moggach, SA and Galvelis, R and Mellot-Draznieks, C and Reisner, BA and Thirumurugan, A and Allan, DR and Cheetham, AK (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 and Brormann, K and Egberts, P and Gosvami, NN and Hausen, F and Held, C (2010) Nanotribology - Fundamental Studies of Friction and Plasticity. ADV ENG MATER , 12 (5) 362 - 367. 10.1002/adem.201000088.

Benny, S. (2010) High temperature water gas shift catalysts: a computer modelling study. Doctoral thesis, UCL (University College London). An open access version is available from UCL Discovery

Berthon, C and Boubals, N and Charushnikova, IA and Collison, D and Cornet, SM and Auwer, C and Gaunt, AJ and Kaltsoyannis, N and May, I and Petit, S and Redmond, MP and Reilly, SD and Scott, BL (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 and Moritz, W and Torrelles, X and Kim, HJ and Thornton, G and 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 and Massignani, M and Battaglia, G and Armes, SP and Ryan, AJ (2010) Tailoring macromolecular expression at polymersome surfaces. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY , 239

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

Bonomi, M and Barducci, A and Gervasio, FL and 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. An open access publication. A version is also available from UCL Discovery.

Boscher, ND and Carmalt, CJ and 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.

Bou-Moreno, R. (2010) The design and synthesis of complexes for the activation of carbon dioxide. Doctoral thesis, UCL (University College London). An open access version is available from UCL Discovery

Boyd, WC and Crimmin, MR and Rosebrugh, LE and Schomaker, JM and Bergman, RG and 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 and Bailey, E and Moewes, A and 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 and Moewes, A and Bailey, E and McMillan, PF (2010) Class of tuneable wide bandgap semiconductors, γ-(GexSi1-x)3N4. Phys Rev B , 81 155207 - ?.

Brent, R and Cubillas, P and Stevens, SM and Jelfs, KE and Umemura, A and Gebbie, JT and Slater, B and Terasaki, O and Holden, MA and Anderson, MW (2010) Unstitching the Nanoscopic Mystery of Zeolite Crystal Formation. J AM CHEM SOC , 132 (39) 13858 - 13868. 10.1021/ja105593v.

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

Briquet, L.G.V. (2010) Modelling active sites of supported metal catalysts. Doctoral thesis, UCL (University College London).

Briquet, LGV and Catlow, CRA and 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 and McArthur, SL and Wright, PC and Lewis, A and 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 and 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 and Torrelles, X and Wander, A and Tomic, S and Ernst, A and Montanari, B and Harrison, NM and Bikondoa, O and Joumard, I and Zegenhagen, J and Cabailh, G and Thornton, G and Lindsay, R (2010) Geometric structure of TiO2(110)(1X1): Confirming experimental conclusions. PHYS REV B , 81 (15) , Article 153404. 10.1103/PhysRevB.81.153404.

Busurin, SM and Kuznetsov, MV and Morozov, YG and Busurina, ML and 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.

Butler, K.T. (2010) Multi-scale modelling of proto-zeolitic solutions. Doctoral thesis, UCL (University College London). An open access version is available from UCL Discovery

C

Cabrera, RQ and Long, D-L and Cronin, L and McMillan, PF (2010) In situ investigations of the polyoxometalate Trojan Horse compound K 7Na[WVI 18O56(SO3) 2(H2O)2]·20H2O under high temperature and high pressure conditions. CrystEngComm , 12 (9) 2568 - 2572.

Calder, S. (2010) Investigation of geometric frustration in magnetic oxides. Doctoral thesis, UCL (University College London). An open access version is available from UCL Discovery

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

Cates, ME and Henrich, O and Marenduzzo, D and Stratford, K (2010) Lattice Boltzmann simulations of liquid crystalline fluids: active gels and blue phases. Soft Matter 5, 3791 (2009)

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

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

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

Cazorla, C and Shevlin, SA and 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 and Herbal, K and 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 and Wilton-Ely, JDET and Tabor, AB and Caruana, DJ (2010) Effect of peptide orientation on electron transfer. PHYS CHEM CHEM PHYS , 12 (34) 9996 - 9998. 10.1039/c0cp00226g.

Chauke, HR and Murovhi, P and Ngoepe, PE and de Leeuw, NH and 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 and 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 and 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 and Gong, XG and Walsh, A and 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 and Walsh, A and Luo, Y and Yang, JH and Gong, XG and 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 and Yang, JH and Gong, XG and Walsh, A and 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 and Wee, CL and Hall, BA and 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 and Williams, DE and Tabor, AB and 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 and Kamer, KJ and Powner, MW and Sutherland, JD and Raines, RT (2010) A stereoelectronic effect in prebiotic nucleotide synthesis. ACS Chem Biol , 5 (7) 655 - 657. 10.1021/cb100093g.

Christie, JK and 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 and 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 and Valappil, SP and Dunnill, CW and Abou Neel, EA and Lee, K and Parkin, IP and Wilson, M and Armitage, DA and Knowles, JC (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 and Jefferys, BR and Sternberg, MJE and 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 and Fitzmaurice, RJ and Ahern, JM and Caddick, S (2010) Dioxygen mediated hydroacylation of vinyl sulfonates and sulfones on water. CHEM COMMUN , 46 (1) 133 - 135. 10.1039/b914563j.

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

Coates, R. (2010) Oxidation state ambiguities in cerium organometallics - a computational approach. Doctoral thesis, UCL (University College London). An open access version is available from UCL Discovery

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

Colman, RH and Sinclair, A and 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.

Cooper, J and Cervenansky, F and De Fabritiis, G and Fenner, J and Friboulet, D and Giorgino, T and Manos, S and Martelli, Y and Villa-Freixa, J and Zasada, S and Lloyd, S and McCormack, K and Coveney, PV (2010) The Virtual Physiological Human TOOLKIT. In: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. (pp. 3925 - 3936). ROYAL SOC

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

Courtier Murias, D. (2010) Molecular dynamics in collagen and model peptides. Doctoral thesis, UCL (University College London).

Coveney, PV and Giupponi, G and Jha, S and Manos, S and MacLaren, J and Pickles, SM and Saksena, RS and Soddemann, T and Suter, JL and Thyveetil, M and Zasada, SJ (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 and 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

Cremer, T and Kolbeck, C and Lovelock, KRJ and Paape, N and Wolfel, R and Schulz, PS and Wasserscheid, P and Weber, H and Thar, J and Kirchner, B and Maier, F and Steinruck, HP (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 and Parkin, IP (2010) Preparation and Characterisation of Super-Hydrophobic Surfaces. CHEM-EUR J , 16 (12) 3568 - 3588. 10.1002/chem.200903335.

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

Culme-Seymour, E.J. (2010) Engineering the growth substrate for embryonic stem cell processing. Doctoral thesis, UCL (University College London).

D

D'Oria, E and Karamertzanis, PG and 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 and MCMILLAN, P and 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 and McMillan, PF and 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 and Seo, ES and Clarke, DJ and McCullough, BJ and Taylor, K and Macmillan, D and Dorin, JR and Campopiano, DJ and Barran, PE (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 and Moreira, IDPR and Roldan, A and 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 (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

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

Deng, HX and Li, JB and Li, SS and Xia, JB and Walsh, A and 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 and 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.

Devey, A.J. (2010) Computer modelling studies of mackinawite, greigite and cubic FeS. Doctoral thesis, UCL (University College London). An open access version is available from UCL Discovery

Di Tommaso, D and 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.

Di Tommaso, D and 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

Di Tommaso, D and de Leeuw, NH (2010) Structure and dynamics of the hydrated magnesium ion and of the solvated magnesium carbonates: insights from first principles simulations. PHYS CHEM CHEM PHYS , 12 (4) 894 - 901. 10.1039/b915329b.

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