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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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