Fast and accurate quantum mechanical modeling of large molecular systems using small basis set hartree-fock methods corrected with atom-centered potentials

dc.contributor.author	Prasad, V. K.
dc.contributor.author	Otero de la Roza, Alberto
dc.contributor.author	Dilabio, G. A.
dc.date.accessioned	2022-11-08T12:44:00Z
dc.date.available	2022-11-08T12:44:00Z
dc.date.issued	2022
dc.identifier.citation	Journal of Chemical Theory and Computation, 18(4), p. 2208-2232 (2022); doi:10.1021/acs.jctc.1c01128
dc.identifier.issn	1549-9618
dc.identifier.uri	http://hdl.handle.net/10651/65518
dc.description.sponsorship	AOR thanks the Spanish Ministerio de Ciencia e Innovación and the Agencia Estatal de Investigación (AEI) for financial support (projects PGC2018-097520-A-100 and RED2018-102612-T) and the Spanish MINECO for a Ramón y Cajal fellowship (RyC-2016-20301).
dc.format.extent	p. 2208-2232
dc.language.iso	eng
dc.relation.ispartof	Journal of Chemical Theory and Computation
dc.rights	© 2022 American Chemical Society
dc.source	Scopus
dc.source.uri	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85127454837&doi=10.1021%2facs.jctc.1c01128&partnerID=40&md5=1a9cd18eb0479d4d37c53d14ee5c9074
dc.title	Fast and accurate quantum mechanical modeling of large molecular systems using small basis set hartree-fock methods corrected with atom-centered potentials
dc.type	journal article
dc.identifier.doi	10.1021/acs.jctc.1c01128
dc.relation.projectID	MICINN/AEI/PGC2018-097520-A-100
dc.relation.projectID	MICINN/AEI/RED2018-102612-T
dc.relation.projectID	MINECO/Ramón y Cajal/RyC-2016-20301
dc.relation.publisherversion	http://dx.doi.org/10.1021/acs.jctc.1c01128

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