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Double hybrid functionals and the Π-system bond length alternation challenge: Rivaling accuracy of Post-HF methods

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dc.contributor.affiliation"Madrid Institute for Advanced Studies, IMDEA Nanoscience, Campus Cantoblanco, Calle Faraday 9, Madrid, 28049, Spain"," Department of Chemistry, MOE Laboratory for Computational Physical Science, Fudan University, Shanghai, 200433, China"," Institut de Recherche de Chimie Paris, IRCP CNRS UMR-8247, Chimie ParisTech, 11 rue P. et M. Curie, Paris cedex 05, F-75231, France"," Institut Universitaire de France, 103 Boulevard Saint Michel, Paris, F-75005, France"," Departamento de Química Física, Universidad de Alicante, Alicante, E-03080, Spain"en
dc.contributor.affiliation000000041762408X
dc.contributor.authorWykes M.
dc.contributor.authorSu N.Q.
dc.contributor.authorXu X.
dc.contributor.authorAdamo C.
dc.contributor.authorSancho-García J.C.
dc.date.accessioned2020-12-04T12:19:03Z
dc.date.available2020-12-04T12:19:03Z
dc.date.issued2015
dc.identifier.doi10.1021/ct500986b
dc.identifier.urihttp://hdl.handle.net/20.500.12614/1170
dc.journal.titleJournal of Chemical Theory and Computation
dc.language.isoen
dc.page.initial832
dc.relation.projectIDinfo:eu:eu-repo/grantAgreement/EC/FP7/331795/EU/Revolutionizing Understanding of Organic Solar Cell Degradation to Design Novel Stable Materials./SOLARREVOLUTION
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.titleDouble hybrid functionals and the Π-system bond length alternation challenge: Rivaling accuracy of Post-HF methods
dc.typeresearch article
dc.volume.number11
dspace.entity.typePublication

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