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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 | Calero Borrallo, Carles |
dc.contributor.author | Martí Rabassa, Jordi |
dc.contributor.author | Guàrdia Manuel, Elvira |
dc.contributor.author | Masia, Marco |
dc.date | 2013-09-17 |
dc.identifier.citation | Calero, C. [et al.]. Characterization of the methane–graphene hydrophobic interaction in aqueous solution from ab initio simulations. "Journal of chemical theory and computation", 17 Setembre 2013, vol. 9, núm. 11, p. 5070-5075. |
dc.identifier.citation | 1549-9618 |
dc.identifier.citation | 10.1021/ct400554q |
dc.identifier.uri | http://hdl.handle.net/2117/20817 |
dc.language.iso | eng |
dc.relation | http://pubs.acs.org/doi/full/10.1021/ct400554q |
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 | Methane |
dc.subject | Graphene |
dc.subject | Molecular dynamics |
dc.subject | methane-graphene interactions |
dc.subject | hydrophobic forces |
dc.subject | ab-initio simulation |
dc.subject | Metà |
dc.subject | Grafé |
dc.subject | Dinàmica molecular |
dc.title | Characterization of the methane–graphene hydrophobic interaction in aqueous solution from ab initio simulations |
dc.type | info:eu-repo/semantics/publishedVersion |
dc.type | info:eu-repo/semantics/article |
dc.description.abstract |