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Article: Alkali metal cation-ligand affinities: Basis set superposition correction for the Gaussian protocols

TitleAlkali metal cation-ligand affinities: Basis set superposition correction for the Gaussian protocols
Authors
Siu, FMMa, NLTsang, CW
Issue Date2001
PublisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jsp
Citation
Journal of Chemical Physics, 2001, v. 114 n. 16, p. 7045-7051 How to Cite?
DOI: http://dx.doi.org/10.1063/1.1360196
AbstractThe effect of the basic set superposition correction (BSSC) on the alkali metal cation-ligand affinities were studied. The misleading effects of the application of the standard full counterpoise correction could be corrected by taking the geometry effect into correction. The relationship between the geometrically corrected counterpoise (GCP), the corrected counterpoise (CP) and the deformation energy was discussed.
Persistent Identifierhttp://hdl.handle.net/10722/167716
ISSN
0021-9606
2023 Impact Factor: 3.1
2023 SCImago Journal Rankings: 1.101
ISI Accession Number ID
WOS:000168036900010
References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorSiu, FMen_US
dc.contributor.authorMa, NLen_US
dc.contributor.authorTsang, CWen_US
dc.date.accessioned2012-10-08T03:10:23Z-
dc.date.available2012-10-08T03:10:23Z-
dc.date.issued2001en_US
dc.identifier.citationJournal of Chemical Physics, 2001, v. 114 n. 16, p. 7045-7051-
dc.identifier.issn0021-9606en_US
dc.identifier.urihttp://hdl.handle.net/10722/167716-
dc.description.abstractThe effect of the basic set superposition correction (BSSC) on the alkali metal cation-ligand affinities were studied. The misleading effects of the application of the standard full counterpoise correction could be corrected by taking the geometry effect into correction. The relationship between the geometrically corrected counterpoise (GCP), the corrected counterpoise (CP) and the deformation energy was discussed.en_US
dc.languageengen_US
dc.publisherAmerican Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jspen_US
dc.relation.ispartofJournal of Chemical Physicsen_US
dc.titleAlkali metal cation-ligand affinities: Basis set superposition correction for the Gaussian protocolsen_US
dc.typeArticleen_US
dc.identifier.emailSiu, FM:fmsiu@hku.hken_US
dc.identifier.authoritySiu, FM=rp00776en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1063/1.1360196en_US
dc.identifier.scopuseid_2-s2.0-0035932715en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0035932715&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume114en_US
dc.identifier.issue16en_US
dc.identifier.spage7045en_US
dc.identifier.epage7051en_US
dc.identifier.isiWOS:000168036900010-
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridSiu, FM=6701518489en_US
dc.identifier.scopusauthoridMa, NL=7103357185en_US
dc.identifier.scopusauthoridTsang, CW=7202935952en_US
dc.identifier.issnl0021-9606-

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