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https://dspace.ffh.bg.ac.rs/handle/123456789/1424| Title: | Valence-Rydberg mixing in the excited doublet states of HCO: potential surfaces for HCO separation | Authors: | Perić, Miljenko Peyerimhoff, Sigrid D. |
Issue Date: | 13-Aug-1993 | Journal: | Journal of Molecular Structure | 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. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1424 | ISSN: | 0022-2860 | DOI: | 10.1016/0022-2860(93)80189-3 |
| Appears in Collections: | Journal Article |
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