Alkali and Alkaline-Earth Cations in Complexes with Small Bioorganic Ligands: Ab Initio Benchmark Calculations and Bond Energy Decomposition

dc.contributor.author	López, Roberto
dc.contributor.author	Díaz Fernández, Natalia
dc.contributor.author	Suárez Rodríguez, Dimas
dc.date.accessioned	2020-04-29T10:56:28Z
dc.date.available	2020-04-29T10:56:28Z
dc.date.issued	2020
dc.identifier.citation	ChemPhysChem, 21(1), p. 99-112 (2020); doi:10.1002/cphc.201900877
dc.identifier.issn	1439-4235
dc.identifier.uri	http://hdl.handle.net/10651/54515
dc.description.sponsorship	This research was supported by the CTQ2015-65790-P and the PGC2018-095953-B grants (MICINN, Spain). We also acknowledgethe IDI/2018/000177 (FICYT, Spain) grant
dc.format.extent	p. 99-112
dc.language.iso	eng
dc.relation.ispartof	ChemPhysChem, 21
dc.rights	© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
dc.source	Scopus
dc.source.uri	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85076613084&doi=10.1002%2fcphc.201900877&partnerID=40&md5=04990a8a022811c90faac99279333388
dc.title	Alkali and Alkaline-Earth Cations in Complexes with Small Bioorganic Ligands: Ab Initio Benchmark Calculations and Bond Energy Decomposition
dc.type	journal article
dc.identifier.doi	10.1002/cphc.201900877
dc.relation.projectID	MICINN/CTQ2015-65790-P
dc.relation.projectID	MICINN/PGC2018-095953-B
dc.relation.publisherversion	http://dx.doi.org/10.1002/cphc.201900877
dc.rights.accessRights	open access
dc.type.hasVersion	AM

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