The vertical and adiabatic excitation energies between the ground and lowest two triplet states of acrolein were studied using ab initio correlated wavefunctions. A double zeta basis set was used in the configuration interaction calculations and each configuration expansion included about 6000 deter
Simulated T ← S spectra of benzaldehydes as a function of the energy gap between the 3ππ* and 3nπ* levels
✍ Scribed by Motohiko Koyanagi; Kenichi Nakashima
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 634 KB
- Volume
- 90
- Category
- Article
- ISSN
- 0301-0104
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