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Article
| Martin, P., Spagnoli, D., Marmier, A., Parker, S.C., Sayle, D.C., Watson, G. (2006) Application of molecular dynamics DL_POLY codes to interfaces of inorganic materials. Molecular Simulation, 32 (12-13). pp. 1079-1093. ISSN 0892-7022. (doi:10.1080/08927020601013817) (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) (KAR id:46794) |
| Netshisaulu, T.T., Ngoepe, Phuti E., Chadwick, Alan V. (1999) Computer modelling and EXAFS study of the disorder in Cd1-xPbxF2 mixed systems. Molecular Simulation, 22 (1). pp. 1-21. ISSN 0892-7022. (doi:10.1080/08927029908022082) (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) (KAR id:16958) |
| Dove, Martin T., Calleja, M., Bruin, R., Wakelin, J., Tucker, M.G., Lewis, Gareth, Hasan, S.M., Alexandrov, V.N., Keegan, M., Ballard, S., and others. (2005) Erratum: The eMinerals collaboratory: tools and experience. Molecular Simulation, 31 (14-15). p. 1107. ISSN 0892-7022. (doi:10.1080/10503300500520106) (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) (KAR id:4775) |
| Sayle, D.C., Catlow, C.R.A., Dulamita, N., Healy, M.J.F., Maicaneanu, S.A., Slater, B., Watson, G.W. (2002) Modelling oxide thin films. Molecular Simulation, 28 (6-7). pp. 683-725. ISSN 08927022 (ISSN). (doi:10.1080/08927020290030224) (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) (KAR id:46817) |
| Alfredsson, Maria, Hermansson, Kersti (2002) OH frequency calculations for the hydroxylated MgO(001) surface. Molecular Simulation, 28 (6-7). pp. 663-681. ISSN 0892-7022. (doi:10.1080/08927020290030198) (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) (KAR id:4765) |
| Alfredsson, Maria, Brodholt, John P., Wilson, P.B., Price, G. David, Cora, Furio, Calleja, A., Bruin, R., Blanshard, L.J., Tyer, R.P. (2005) Structural and magnetic phase transitions in simple oxides using hybrid functionals. Molecular Simulation, 31 (5). pp. 367-377. ISSN 0892-7022. (doi:10.1080/08927020500066684) (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) (KAR id:4759) |
| Chadwick, Alan V. (1998) The characterisation of solids by nuclear magnetic resonance and X-ray absorption spectroscopy. Molecular Simulation, 21 (2-3). pp. 105-26. ISSN 0892-7022. (doi:10.1080/08927029808022054) (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) (KAR id:17632) |
| Dove, Martin T., Calleja, M., Bruin, R., Wakelin, J., Tucker, M.G., Lewais, G.J., Hasan, S.M., Alexandrov, V.N., Keegan, M., Ballard, S., and others. (2005) The eMinerals collaboratory: tools and experience. Molecular Simulation, 31 (5). pp. 329-337. ISSN 0892-7022. (doi:10.1080/08927020500066163) (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) (KAR id:4774) |
| Scheidler, M., North, A.N., Dore, John C. (1993) The investigation of spatial correlations in liquid phosphorus by reverse monte-carlo calculations. Molecular Simulation, 11 (6). pp. 345-363. ISSN 0892-7022. (doi:10.1080/08927029308022519) (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) (KAR id:20667) |
| Mallett, M.J.D. (2001) A molecular dynamics computer simulation performance comparison of Java versus C. Molecular Simulation, 26 (6). pp. 417-422. ISSN 0892-7022. (doi:10.1080/08927020108024514) (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) (KAR id:11432) |
