QM/MM energy decomposition using the interacting quantum atoms approach

dc.contributor.author	López, Roberto
dc.contributor.author	Díaz Fernández, Natalia
dc.contributor.author	Francisco Miguélez, Evelio
dc.contributor.author	Martín Pendás, Ángel
dc.contributor.author	Suárez Rodríguez, Dimas
dc.date.accessioned	2022-10-25T11:10:08Z
dc.date.available	2022-10-25T11:10:08Z
dc.date.issued	2022
dc.identifier.citation	Journal of Chemical Information and Modeling, 62(6), p. 1510-1524 (2022); doi:10.1021/acs.jcim.1c01372
dc.identifier.issn	1549-9596
dc.identifier.uri	http://hdl.handle.net/10651/65088
dc.description.sponsorship	The authors thank FICyT (grant FC-GRUPIN-IDI/2018/000177) and MICINN (grant PGC2018-095953-B-I00) for financial support.
dc.format.extent	p. 1510-1524
dc.language.iso	eng
dc.relation.ispartof	Journal of chemical information and modeling
dc.rights	© 2022 The Authors. Published by American Chemical Society
dc.rights	CC Reconocimiento 4.0 Internacional
dc.rights.uri	http://creativecommons.org/licenses/by/4.0/
dc.source	Scopus
dc.source.uri	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85125947880&doi=10.1021%2facs.jcim.1c01372&partnerID=40&md5=e720326e513c84979145518076f068f2
dc.title	QM/MM energy decomposition using the interacting quantum atoms approach
dc.type	journal article
dc.identifier.doi	10.1021/acs.jcim.1c01372
dc.local.notes	OA ATUO21
dc.relation.projectID	FC-GRUPIN-IDI/2018/000177
dc.relation.projectID	MICINN/PGC2018-095953-B-I00
dc.relation.publisherversion	http://dx.doi.org/10.1021/acs.jcim.1c01372
dc.rights.accessRights	open access
dc.type.hasVersion	VoR

Artículos [36307]
Investigaciones y Documentos OpenAIRE [7936]
Publicaciones resultado de proyectos financiados con fondos públicos
Química Física y Analítica [606]

This item is protected with a Creative Commons License