To access the full text documents, please follow this link: http://hdl.handle.net/2117/21290
dc.contributor | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
---|---|
dc.contributor | Universitat Politècnica de Catalunya. SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada |
dc.contributor.author | Nicolini, Paolo |
dc.contributor.author | Guàrdia Manuel, Elvira |
dc.contributor.author | Masia, Marco |
dc.date | 2013-11-14 |
dc.identifier.citation | Nicolini, P.; Guardia, E.; Masia, M. Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching. "Journal of chemical physics", 14 Novembre 2013, vol. 139, núm. 18, p. 184111-1-184111-5. |
dc.identifier.citation | 0021-9606 |
dc.identifier.citation | 10.1063/1.4829444 |
dc.identifier.uri | http://hdl.handle.net/2117/21290 |
dc.language.iso | eng |
dc.relation | info:eu-repo/grantAgreement/EC/FP7/299345/EU/Energy Transfer in Supramolecular Nanostructures/EASE |
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 | Molecular dynamics--Simulation methods |
dc.subject | Dispersion |
dc.subject | Density functionals |
dc.subject | Dispersion interaction |
dc.subject | Dispersion-corrected density functional |
dc.subject | Dynamical properties |
dc.subject | Empirical potentials |
dc.subject | First principle calculations |
dc.subject | Force-matching algorithm |
dc.subject | Lennard-Jones interaction potential |
dc.subject | Molecular dynamics simulations |
dc.subject | Dinàmica molecular -- Mètodes de simulació |
dc.subject | Dispersió (Física) |
dc.subject | Funcional de densitat, Teoria del |
dc.title | Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching |
dc.type | info:eu-repo/semantics/publishedVersion |
dc.type | info:eu-repo/semantics/article |
dc.description.abstract |