Excited states of all-trans and 11-cis retinal: All valence-electron SCF-MO-CI calculations
β Scribed by Ludwik J. Weimann; Gerald M. Maggiora; Paul E. Blatz
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 877 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0020-7608
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π SIMILAR VOLUMES
All-valence-electron SCF MO CI calculations of the spectra of dianion and free base porphin were performed. Comparisons are made with other SCF MO CI calculations and with experiment. The results obtained are seen to be in reasonable agreement with experiment. Characteristics of the calculated ba
## Abstract PPP MO theory initiated in 1953 a reliable SCF approach to excited states in multielectronic systems. Further developments, such as Del BeneβJaffΓ©'s CNDO/S method, modified Pople's CNDO allβvalence electron (AVE) approach to improve the results but maintained some basic troubles of this
## Lehn-tuhl ftir lleoreridle Chemie der Oiliversitiit Sorm.