A procedure is outlined for the calculation of molecular static electric polnrizabilities ir! excited singkt 2nd triplet states using the "finite perturbation theory" in conjunction with the CNDO/S CI method. Numerical results for the sound and the three lowest excited singlet and triplet states of
Calculation of the probability for the singlet — triplet transition in the ethylene molecule by the CNDO CI method
✍ Scribed by I. S. Irgibaeva; B. F. Minaev; Z. M. Muldakhmetov; D. M. Kizhner
- Publisher
- Springer US
- Year
- 1980
- Tongue
- English
- Weight
- 454 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0021-9037
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract The rate of the photopolymerization of ethylene initiated by a mercury are lamp was investigated under a pressure of 400 kg/cm^2^ at 30 ± 5°C by varying the wavelength of incident light. Ethylene was found to polymerize by ultraviolet light below about 3500 Å. The yield decreased gradua
The CNDO/S method is used to calculate spectra of monomers and pairs in the reaction center of Rhodopseudomonas uirzdis. The special pair is a strongly coupled dimer and its spectrum cannot be described by exciton coupling theory. The S, and S, states are both suggested to be in the long-wavelength