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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2010, Volume 91, Issue 9, Pages 536–540
(Mi jetpl716)
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This article is cited in 1 scientific paper (total in 1 paper)
MISCELLANEOUS
Effect of electron correlations on the structure of photoprotein substrates
S. G. Ovchinnikovab, L. Yu. Antipinab, F. N. Tomilinba, A. A. Kuzubovb a L. V. Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences
b Siberian Federal University
Abstract:
The electronic structure and total energy of various isomeric forms of coelenterazine and coelenteramide have been calculated by quantum chemistry methods both in the single-electron approximation and taking into account correlation effects. It has been shown that the inclusion of electron correlations makes it possible to obtain the structure of the coelenteramide close to the experimentally determined structure, as well as to choose the structure of the coelenterazine CLZ(1H) as the most probable isomeric form.
Received: 06.04.2010
Citation:
S. G. Ovchinnikov, L. Yu. Antipina, F. N. Tomilin, A. A. Kuzubov, “Effect of electron correlations on the structure of photoprotein substrates”, Pis'ma v Zh. Èksper. Teoret. Fiz., 91:9 (2010), 536–540; JETP Letters, 91:9 (2010), 490–493
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https://www.mathnet.ru/eng/jetpl716 https://www.mathnet.ru/eng/jetpl/v91/i9/p536
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Abstract page: | 289 | Full-text PDF : | 96 | References: | 55 |
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