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dc.contributor | Universitat Politècnica de Catalunya. Departament de Física |
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dc.contributor | Universitat Politècnica de Catalunya. SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada |
dc.contributor.author | Tahat, Amani |
dc.contributor.author | Martí Rabassa, Jordi |
dc.date | 2016-05-17 |
dc.identifier.citation | Tahat, A., Marti, J. Multistate empirical valence bond study of temperature and confinement effects on proton transfer in water inside hydrophobic nanochannels. "Journal of computational chemistry", 17 Maig 2016, vol. 37, núm. 20, p. 1935-1946. |
dc.identifier.citation | 0192-8651 |
dc.identifier.citation | 10.1002/jcc.24411 |
dc.identifier.uri | http://hdl.handle.net/2117/88634 |
dc.language.iso | eng |
dc.relation | http://onlinelibrary.wiley.com/doi/10.1002/jcc.24411/full |
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 | Molecular dynamics |
dc.subject | Proton transfer reactions |
dc.subject | multi-state empirical valence bond |
dc.subject | molecular dynamics |
dc.subject | proton transfer |
dc.subject | constrained geometries |
dc.subject | graphene slab |
dc.subject | Dinàmica molecular |
dc.subject | Protons -- Reaccions de transferència |
dc.title | Multistate empirical valence bond study of temperature and confinement effects on proton transfer in water inside hydrophobic nanochannels |
dc.type | info:eu-repo/semantics/submittedVersion |
dc.type | info:eu-repo/semantics/article |
dc.description.abstract |