A general approach is presented for calculating the vibronic structure (Fran&-Condon factors) of electronic transitions in conjugated molecules. Applications to the lowest &owed ITIT\* transition of ethylene, 1,3-cyclohexadiene, 1,3,5hesatriene, and F\_ionone are given.
โฆ LIBER โฆ
Calculation of the electronic structure of nonbenzoid conjugated molecules
โ Scribed by L. I. Egorova; V. N. Mochalkin; R. I. Rakauskas; L. A. Borovinskii; A. B. Bolotin
- Book ID
- 112367160
- Publisher
- Springer
- Year
- 1967
- Tongue
- English
- Weight
- 597 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0040-5760
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## Abstract We present the results obtained within the CNDO/2 method for the diamagnetic susceptibilities of a series of conjugated molecules including benzene, fulvene, pyridine, pyrrole, and furan. The calculations have been carried out, according to Bley's method, in the framework of coupled Har