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dc.contributor | Universitat de Barcelona |
---|---|
dc.contributor.author | Curutchet Barat, Carles E. |
dc.contributor.author | Cupellini, Lorenzo |
dc.contributor.author | Kongsted, Jacob |
dc.contributor.author | Corni, Stefano |
dc.contributor.author | Frediani, Luca |
dc.contributor.author | Steindal, Arnfinn Hykkerud |
dc.contributor.author | Guido, Ciro A. |
dc.contributor.author | Scalmani, Giovanni |
dc.contributor.author | Mennucci, Benedetta |
dc.date | 2018-06-01T14:04:17Z |
dc.date | 2019-02-13T06:10:18Z |
dc.date | 2018-03-13 |
dc.date | 2018-06-01T14:04:18Z |
dc.identifier.citation | 1549-9618 |
dc.identifier.citation | 679076 |
dc.identifier.uri | http://hdl.handle.net/2445/122727 |
dc.format | 28 p. |
dc.format | application/pdf |
dc.language.iso | eng |
dc.publisher | American Chemical Society |
dc.relation | Versió postprint del document publicat a: https://doi.org/10.1021/acs.jctc.7b00912 |
dc.relation | Journal of Chemical Theory and Computation, 2018, vol. 14, num. 3, p. 1671-1681 |
dc.relation | https://doi.org/10.1021/acs.jctc.7b00912 |
dc.rights | (c) American Chemical Society , 2018 |
dc.rights | info:eu-repo/semantics/openAccess |
dc.subject | Química quàntica |
dc.subject | Química física |
dc.subject | Quantum chemistry |
dc.subject | Physical and theoretical chemistry |
dc.title | Density-dependent formulation of dispersion−repulsion interactions in hybrid multiscale quantum/molecular mechanics (QM/MM) models |
dc.type | info:eu-repo/semantics/article |
dc.type | info:eu-repo/semantics/acceptedVersion |
dc.description.abstract |