Theoretical investigation of the triplet to ground state photoisomer1zation of imines
β Scribed by Peter Russegger
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 381 KB
- Volume
- 69
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
Non-empirical LCAO MO SCF computations have been carried out on the ground and core-hole states of various structures for the 2-butyl cation. The enhancement of weak interactions on going to the core-hole state manifold potentially provides a straightforward means of distinguishing between isomeric
Large-scale open-shell coupled cluster calculations have been carried out for the four lowest doublet states of C~ and the ground state of linear C 6. They strongly support the assignment of the peaks at 607.7 and 586.5 nm observed in neon matrix isolation experiments to the 0 Β° and 31 transitions w