Approximate open shell SCF MO theory in the CNDO/2 scheme confirms the 90Β° twisted geometry of singlet excited ethylene and gives values of 114' for angle HCH and 1.38h for Y&.
Computation of molecular geometries for singlet excited states
β Scribed by G.H. Kirby; K. Miller
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 569 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0022-2860
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