Ab initio study of the electronic spectrum of C<inf>2</inf>H<inf>2</inf><sup>+</sup>. : I. Vertical spectrum and angular potential curves

Please use this identifier to cite or link to this item: https://dspace.ffh.bg.ac.rs/handle/123456789/1375

DC Field	Value	Language
dc.contributor.author	Perić, Miljenko	en_US
dc.contributor.author	Engels, B.	en_US
dc.contributor.author	Hanrath, M.	en_US
dc.date.accessioned	2022-12-21T15:48:42Z	-
dc.date.available	2022-12-21T15:48:42Z	-
dc.date.issued	1998-11-01	-
dc.identifier.issn	0301-0104	en
dc.identifier.uri	https://dspace.ffh.bg.ac.rs/handle/123456789/1375	-
dc.description.abstract	Results of ab initio MRD-CI calculations of the vertical spectrum and trans-bending, cis-bending and torsional potential energy curves for low-lying doublet electronic states of the acetylene cation are presented. At the linear nuclear geometry these states correlate with X 2Πu, 1 2Σ+g, 1 2Πg, 1 2Φg, 1 2Σ+u, and 2 2Πg, all of them being of predominantly valence character.	en
dc.relation.ispartof	Chemical Physics	en
dc.title	Ab initio study of the electronic spectrum of C<inf>2</inf>H<inf>2</inf><sup>+</sup>. : I. Vertical spectrum and angular potential curves	en_US
dc.type	Article	en_US
dc.identifier.doi	10.1016/S0301-0104(98)00294-8	-
dc.identifier.scopus	2-s2.0-0032381171	-
dc.identifier.url	https://api.elsevier.com/content/abstract/scopus_id/0032381171	-
dc.relation.firstpage	33	en
dc.relation.lastpage	46	en
dc.relation.issue	1	en
dc.relation.volume	238	en
item.grantfulltext	none	-
item.openairetype	Article	-
item.openairecristype	http://purl.org/coar/resource_type/c_18cf	-
item.cerifentitytype	Publications	-
item.fulltext	No Fulltext	-
crisitem.author.orcid	0000-0001-6673-3811	-
Appears in Collections:	Journal Article

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