Repositorio
Cómo publicar
Recursos
FAQs

Mostrar el registro sencillo del ítem

Minimal basis set Hartree-Fock corrected with atom-centered potentials for molecular crystal modeling and crystal structure prediction

dc.contributor.authorTuca, E.
dc.contributor.authorDilabio, G.
dc.contributor.authorOtero de la Roza, Alberto 
dc.date.accessioned2023-03-15T10:34:36Z
dc.date.available2023-03-15T10:34:36Z
dc.date.issued2022
dc.identifier.citationJournal of Chemical Information and Modeling, 62(17), p. 4107-4121 (2022); doi:10.1021/acs.jcim.2c00656
dc.identifier.issn1549-9596
dc.identifier.urihttp://hdl.handle.net/10651/67090
dc.description.sponsorshipNatural Sciences and Engineering Research Council of Canada (NSERC); Canadian Foundation for Innovation; British Columbia Knowledge Development Fund; Spanish Ministerio de Ciencia e innovación, Agencia Estatal de investigación (AEI) [PGC2018-097520-A-100]; Principality of Asturias (FICYT), FEDER [AYUD/2021/51036]; Spanish MINECO [RyC-2016-20301]
dc.format.extentp. 4107-4121
dc.language.isoeng
dc.relation.ispartofJournal of Chemical Information and Modeling
dc.rights© 2022 American Chemical Society
dc.sourceScopus
dc.source.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85136616462&doi=10.1021%2facs.jcim.2c00656&partnerID=40&md5=c66aee1773483f8a9af727d92de07240
dc.titleMinimal basis set Hartree-Fock corrected with atom-centered potentials for molecular crystal modeling and crystal structure prediction
dc.typejournal article
dc.identifier.doi10.1021/acs.jcim.2c00656
dc.relation.projectIDMCIN/AEI/PGC2018-097520-A-100
dc.relation.projectIDFICYT/FEDER/AYUD/2021/51036
dc.relation.projectIDMINECO/RyC-2016-20301
dc.relation.publisherversionhttp://dx.doi.org/10.1021/acs.jcim.2c00656


Ficheros en el ítem

FicherosTamañoFormatoVer

No hay ficheros asociados a este ítem.

Este ítem aparece en la(s) siguiente(s) colección(ones)

Mostrar el registro sencillo del ítem