Please use this identifier to cite or link to this item:
https://dspace.ffh.bg.ac.rs/handle/123456789/460| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Milovanović, Milan | en_US |
| dc.contributor.author | Jerosimić, Stanka | en_US |
| dc.date.accessioned | 2022-12-13T18:57:38Z | - |
| dc.date.available | 2022-12-13T18:57:38Z | - |
| dc.date.issued | 2013-04-05 | - |
| dc.identifier.issn | 0009-2614 | en |
| dc.identifier.uri | https://dspace.ffh.bg.ac.rs/handle/123456789/460 | - |
| dc.description.abstract | Antimony dicarbide was investigated employing coupled cluster and multiconfigurational methods. The relativistic effects were taken into account by using pseudopotentials for the Sb atom; additional corrections due to all-electron correlations and spin-orbit effects were also included. C 2Sb is found to be quasi-linear in the ground 2A″ [X 2Π] state with a very small barrier to linearity (0.07 kJ mol-1); T-shaped cyclic C2v (2B2) geometry was found just about 2.9 kJ mol-1 higher in energy. A molecular orbital analysis, spin-orbit constants, dissociation energies of C2Sb (X 2Π), and the low-lying excited valence-type electronic states are reported. © 2013 Elsevier B.V. All rights reserved. | en |
| dc.relation.ispartof | Chemical Physics Letters | en |
| dc.title | An ab initio study of antimony dicarbide (C<inf>2</inf>Sb) | en_US |
| dc.type | Article | en_US |
| dc.identifier.doi | 10.1016/j.cplett.2013.02.047 | - |
| dc.identifier.scopus | 2-s2.0-84875469934 | - |
| dc.identifier.url | https://api.elsevier.com/content/abstract/scopus_id/84875469934 | - |
| dc.relation.firstpage | 28 | en |
| dc.relation.lastpage | 34 | en |
| dc.relation.volume | 565 | en |
| item.fulltext | No Fulltext | - |
| item.grantfulltext | none | - |
| item.openairetype | Article | - |
| item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
| item.cerifentitytype | Publications | - |
| crisitem.author.orcid | 0000-0001-6409-4534 | - |
| crisitem.author.orcid | 0000-0001-5873-0477 | - |
| Appears in Collections: | Journal Article | |
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