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dc.contributor | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
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dc.contributor | Universitat Politècnica de Catalunya. SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada |
dc.contributor.author | Spangberg, Daniel |
dc.contributor.author | Guàrdia Manuel, Elvira |
dc.contributor.author | Masia, Marco |
dc.date | 2012-02-15 |
dc.identifier.citation | SPANGBERG, D.; Guardia, E.; Masia, M. Aqueous halide potentials from force matching of Car-Parrinello data. "Computational and theoretical chemistry", 15 Febrer 2012, vol. 982, p. 58-65. |
dc.identifier.citation | 2210-271X |
dc.identifier.citation | 10.1016/j.comptc.2011.12.011 |
dc.identifier.uri | http://hdl.handle.net/2117/16421 |
dc.language.iso | eng |
dc.publisher | Elsevier |
dc.relation | http://www.sciencedirect.com/science/article/pii/S2210271X11006591 |
dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Spain |
dc.rights | info:eu-repo/semantics/openAccess |
dc.rights | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
dc.subject | Àrees temàtiques de la UPC::Física |
dc.subject | Water |
dc.subject | Halides |
dc.subject | Aqueous solution |
dc.subject | Car parrinello molecular dynamics |
dc.subject | Force field |
dc.subject | Forcematching |
dc.subject | Halide |
dc.subject | Water |
dc.subject | Aigua |
dc.subject | Halurs |
dc.title | Aqueous halide potentials from force matching of Car-Parrinello data |
dc.type | info:eu-repo/semantics/publishedVersion |
dc.type | info:eu-repo/semantics/article |
dc.description.abstract |