Valence-Rydberg mixing in the excited doublet states of HCO: potential surfaces for HCO separation

Please use this identifier to cite or link to this item: https://dspace.ffh.bg.ac.rs/handle/123456789/1424

DC Field	Value	Language
dc.contributor.author	Perić, Miljenko	en_US
dc.contributor.author	Peyerimhoff, Sigrid D.	en_US
dc.date.accessioned	2022-12-21T15:48:47Z	-
dc.date.available	2022-12-21T15:48:47Z	-
dc.date.issued	1993-08-13	-
dc.identifier.issn	0022-2860	en
dc.identifier.uri	https://dspace.ffh.bg.ac.rs/handle/123456789/1424	-
dc.description.abstract	Valence-Rydberg mixing of the doublet electronic states of HCO along the HCO dissociation path is investigated by means of ab initio configuration interaction calculations. The character of the species in question and the form of the corresponding potential surfaces are discussed in terms of composition and energy changes of the molecular orbitals, generated in SCF computations, with geometry variation. © 1993.	en
dc.relation.ispartof	Journal of Molecular Structure	en
dc.title	Valence-Rydberg mixing in the excited doublet states of HCO: potential surfaces for HCO separation	en_US
dc.type	Article	en_US
dc.identifier.doi	10.1016/0022-2860(93)80189-3	-
dc.identifier.scopus	2-s2.0-0000784508	-
dc.identifier.url	https://api.elsevier.com/content/abstract/scopus_id/0000784508	-
dc.relation.firstpage	347	en
dc.relation.lastpage	359	en
dc.relation.issue	C	en
dc.relation.volume	297	en
item.openairecristype	http://purl.org/coar/resource_type/c_18cf	-
item.openairetype	Article	-
item.cerifentitytype	Publications	-
item.fulltext	No Fulltext	-
item.grantfulltext	none	-
crisitem.author.orcid	0000-0001-6673-3811	-
Appears in Collections:	Journal Article

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