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Jahn-Teller effect in biomolecules

โœ Scribed by M. Bacci

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
854 KB
Volume
11
Category
Article
ISSN
0301-4622

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We analyze a combined (T+E)@ (r+s) Jahn-Teller plus pseudo-Jahn-Teller effect for the 'E ground state and the 'Tr first excited state in the P: cation. Ab initio SCF calculations point towards a significant interaction between the two states which are themselves subject to Jahn-Teller couplings. The