Please use this identifier to cite or link to this item:
https://dspace.ffh.bg.ac.rs/handle/123456789/1423| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Perić, Miljenko | en_US |
| dc.contributor.author | Engels, Bernd | 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 | 1995-01-01 | - |
| dc.identifier.issn | 0022-2852 | en |
| dc.identifier.uri | https://dspace.ffh.bg.ac.rs/handle/123456789/1423 | - |
| dc.description.abstract | A variational approach is applied to calculate the vibronic energy levels and the corresponding wavefunctions for the X2Πu electronic state of B2H+2. The potential surfaces involving variations of the symmetric B-H stretching, B-B stretching, trans- and cis-bending, and the torsional coordinates are computed by means of the ab initio multireference configuration interaction method. Positions of the K = 0-3 vibronic levels in the energy range between 0 and 3000 cm-1 are predicted. © 1995 Academic Press, Inc. | en |
| dc.relation.ispartof | Journal of Molecular Spectroscopy | en |
| dc.title | Ab initio study of the renner-teller effect in the X<sup>2</sup>Π<inf>u</inf> electronic state of B<inf>2</inf>H<sup>+</sup><inf>2</inf> | en_US |
| dc.type | Article | en_US |
| dc.identifier.doi | 10.1006/jmsp.1995.1135 | - |
| dc.identifier.scopus | 2-s2.0-0000175916 | - |
| dc.identifier.url | https://api.elsevier.com/content/abstract/scopus_id/0000175916 | - |
| dc.relation.firstpage | 494 | en |
| dc.relation.lastpage | 503 | en |
| dc.relation.issue | 2 | en |
| dc.relation.volume | 171 | en |
| item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
| item.cerifentitytype | Publications | - |
| item.fulltext | No Fulltext | - |
| item.openairetype | Article | - |
| item.grantfulltext | none | - |
| crisitem.author.orcid | 0000-0001-6673-3811 | - |
| Appears in Collections: | Journal Article | |
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