DFT performance in the IQA energy partition of small water clusters

Jiménez Grávalos, Fernando; Casals Sainz, José Luis; Francisco Miguélez, Evelio; Rocha Rinza, Tomás; Martín Pendás, Ángel; Guevara Vela, José Manuel

doi:10.1007/s00214-019-2514-2

Repository

How to publish

Resources

FAQs

Show simple item record

DFT performance in the IQA energy partition of small water clusters

dc.contributor.author	Jiménez Grávalos, Fernando
dc.contributor.author	Casals Sainz, José Luis
dc.contributor.author	Francisco Miguélez, Evelio
dc.contributor.author	Rocha Rinza, Tomás
dc.contributor.author	Martín Pendás, Ángel
dc.contributor.author	Guevara Vela, José Manuel
dc.date.accessioned	2020-04-29T10:56:23Z
dc.date.available	2020-04-29T10:56:23Z
dc.date.issued	2020
dc.identifier.citation	Theoretical Chemistry Accounts, 139(1), p. 5 (2020); doi:10.1007/s00214-019-2514-2
dc.identifier.issn	1432-881X
dc.identifier.uri	http://hdl.handle.net/10651/54482
dc.description.sponsorship	We thank the Spanish MINECO, Grant MICINN PGC2018-095953-B-l00, the FICyt, Grant IDI-2018-000177 and the European Union FEDER funds for financial support. F. J.-G. gratefully acknowledge financial support from the Spanish MINECO, Grant BES-2016-076986. T.R.R. acknowledges financial support from CONACyT/Mexico (Grant 253776).
dc.language.iso	eng
dc.relation.ispartof	Theoretical Chemistry Accounts, 139
dc.rights	© 2019 Springer Nature
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	Scopus
dc.source.uri	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85075607790&doi=10.1007%2fs00214-019-2514-2&partnerID=40&md5=48bd0e36896df536391a9d4e788659dd
dc.title	DFT performance in the IQA energy partition of small water clusters
dc.type	journal article
dc.identifier.doi	10.1007/s00214-019-2514-2
dc.relation.projectID	MICINN PGC2018-095953-B-l00
dc.relation.projectID	IDI-2018-000177
dc.relation.projectID	MINECO/BES-2016-076986
dc.relation.publisherversion	http://dx.doi.org/10.1007/s00214-019-2514-2
dc.rights.accessRights	open access
dc.type.hasVersion	AM

Files in this item

Name:: assess_dft.pdf
Size:: 802.3Kb
Format:: PDF
Description:: Postprint

This item appears in the following Collection(s)

Artículos [36113]
Investigaciones y Documentos OpenAIRE [7858]
Publicaciones resultado de proyectos financiados con fondos públicos
Química Física y Analítica [597]

Show simple item record

This item is protected with a Creative Commons License