Rcccivcd 6 Scptcmber 1976 ST0 4G calculations arc carried out on methane in both tetrahcdrd and l&n-Teller dIstorted Czv and Czv symmctcies. Large incrcascs in Cl1 bond lengths are prcdictcd in al! states, and the r B1 state in Czv symmetry is prcdictcd to dissociate to \* B1 mcthylcne and 'Ai Hz wi
โฆ LIBER โฆ
Excited states and photochemistry of saturated molecules. Methylene fluoride
โ Scribed by Mark S. Gordon
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 343 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
INDO calculations arc carried OUI on the first few excited states ofmethylcne fluoride. The cffe'ct of the level of configuration interaction on prcdiclcd state ordering, excited state geometries, and cscited state bond energies is discussed.
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