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Number of items: 13.

Article

Sloan, Jeremy and Carter, Robert M. and Meyer, R.R. and Vlandas, A. and Kirkland, A.I. and Lindan, Philip J. D. and Lin, G. and Harding, J. and Hutchison, J.L. (2006) Structural correlation of band-gap modifications induced in mercury telluride by dimensional constraint in single walled carbon nanotubes. Physica Status Solidi B, 243 (13). pp. 3257-3262. ISSN 0370-1972. (doi:https://doi.org/10.1002/pssb.200669157) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

Lindan, Philip J. D. and Zhang, Changjun (2005) Comment on "Molecular chemisorption as the theoretically preferred pathway for water adsorption on ideal rutile TiO2(110)". Physical Review Letters: Moving Physics Forward, 95 (2). p. 1. ISSN 0031-9007. (doi:https://doi.org/10.1103/PhysRevLett.95.029601) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

Materzanini, Giuliana and Tantardini, Gian Franco and Lindan, Philip J. D. and Saalfrank, Peter (2005) Water adsorption at metal surfaces: A first-principles study of the p(root 3x root 3)R30 degrees H2O bilayer on Ru(0001). Physical Review B: Condensed Matter and Materials Physics, 71 (15). p. 17. ISSN 0163-1829. (doi:https://doi.org/10.1103/PhysRevB.71.155414) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

Chadwick, Alan V. and Chatten, Ryan and Rougier, A. and Lindan, Philip J. D. (2005) The oxygen vacancy in crystal phases of WO3. Journal of Physical Chemistry B, 109 (8). pp. 3146-3156. ISSN 1520-6106. (doi:https://doi.org/10.1021/jp045655r) (Access to this publication is currently restricted. You may be able to access a copy if URLs are provided)

Lindan, Philip J. D. and Zhang, Changjun (2005) Exothermic water dissociation on the rutile TiO2(110) surface. Physical Review B: Condensed Matter and Materials Physics, 72 (7). p. 7. ISSN 0163-1829. (doi:https://doi.org/10.1103/PhysRevB.72.075439) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

Zhang, Changjun and Lindan, Philip J. D. (2004) A density functional theory study of the coadsorption of water and oxygen on TiO2(110). Journal of Chemical Physics, 121 (8). pp. 3811-3815. ISSN 0021-9606. (doi:https://doi.org/10.1063/1.1775784) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

Chadwick, Alan V. and Lindan, Philip J. D. and Duplock, Elizabeth and Thomas, Michelle and Chatten, Ryan and Zhang, Changjun (2004) The interdependence of defects, electronic structure and surface chemistry. Dalton Transactions, (19). pp. 3076-3084. ISSN 1477-9226. (doi:https://doi.org/10.1039/b407380k) (Access to this publication is currently restricted. You may be able to access a copy if URLs are provided)

Zhang, Changjun and Lindan, Philip J. D. (2003) Towards a first-principles picture of the oxide-water interface. Journal of Chemical Physics, 119 (17). pp. 9183-9190. ISSN 0021-9606. (doi:https://doi.org/10.1063/1.1614208) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

Zhang, Changjun and Lindan, Philip J. D. (2003) A density functional theory study of sulphur dioxide adsorption on rutile TiO2 (110). Chemical Physics Letters, 373 (1-2). pp. 15-21. ISSN 0009-2614. (doi:https://doi.org/10.1016/S0009-2614(03)00530-X) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

Zhang, Changjun and Lindan, Philip J. D. (2003) Multilayer water adsorption on rutile TiO2(110): A first-principles study. Journal of Chemical Physics, 118 (10). pp. 4620-4630. ISSN 0021-9606. (doi:https://doi.org/10.1063/1.1543983) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

Segall, M.D. and Lindan, Philip J. D. and Probert, M.J. and Pickard, C.J. and Hasnip, P.J. and Clarke, Stuart J. and Payne, M.C. (2002) First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics: Condensed Matter, 14 (11). pp. 2717-2744. ISSN 0953-8984. (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

Materzanini, Giuliana and Saalfrank, Peter and Lindan, Philip J. D. (2001) Quantum size effects in metal films: Energies and charge densities of Pb(111) grown on Cu(111). Physical Review B: Condensed Matter and Materials Physics, 63 (23). p. 9. ISSN 0163-1829. (doi:https://doi.org/10.1103/PhysRevB.63.235405) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

Lindan, Philip J. D. and Harrison, N.M (2001) The structure of the reduced rutile TiO2(100) 1 x 3 reconstruction. Surface Science, 479 (1-3). L375-L381. ISSN 0039-6028. (doi:https://doi.org/10.1016/S0039-6028(01)01005-6) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

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