Lewis structures from open quantum systems natural orbitals: real space adaptive natural density partitioning

dc.contributor.author	Francisco Miguélez, Evelio
dc.contributor.author	Costales Castro, María Aurora
dc.contributor.author	Menéndez Herrero, María
dc.contributor.author	Martín Pendás, Ángel
dc.date.accessioned	2022-02-01T08:05:25Z
dc.date.available	2022-02-01T08:05:25Z
dc.date.issued	2021
dc.identifier.citation	The Journal of Physical Chemistry A, 125(18), p. 4013-4025 (2021); doi:10.1021/acs.jpca.1c01689
dc.identifier.issn	1089-5639
dc.identifier.issn	1520-5215
dc.identifier.uri	http://hdl.handle.net/10651/61645
dc.description.sponsorship	We thank the Spanish MICINN, grant PGC2018-095953-BI00, the FICyT, grant FC-GRUPIN-IDI/2018/000177, and the European Union FEDER for funding.
dc.format.extent	p. 4013-4025
dc.language.iso	eng
dc.relation.ispartof	The Journal of Physical Chemistry A
dc.rights	© 2021 American Chemical Society
dc.rights	CC Reconocimiento - No Comercial - Sin Obra Derivada 4.0 Internacional
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.source	WOS:000651786200021
dc.title	Lewis structures from open quantum systems natural orbitals: real space adaptive natural density partitioning
dc.type	journal article
dc.identifier.doi	10.1021/acs.jpca.1c01689
dc.local.notes	OA ATUO21
dc.relation.projectID	MICINN/PGC2018-095953-BI00
dc.relation.projectID	FICyT/FC-GRUPIN-IDI/2018/000177
dc.relation.publisherversion	http://dx.doi.org/10.1021/acs.jpca.1c01689
dc.rights.accessRights	open access
dc.type.hasVersion	AM

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