Email this article Quantum-chemical study of coelenterazine withthe account of environment and electronic correlations
- Authors: Antipina L.Y.1, Ovchinnikov S.G.1, Antipina LY.1, Ovchinnikov SG1
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Affiliations:
- Issue: Vol 12, No 2 (2011)
- Pages: 4-7
- Section: Articles
- URL: https://journals.eco-vector.com/2712-8970/article/view/505628
- ID: 505628
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Abstract
Electronic structure and total energy of various isomeric forms of coelenterazine has been calculated by methods
of quantum chemistry both in one-electronic approach, and with correlation effects. It is shown that the account
of electronic correlations allows choosing structure of coelenterazine CLZ (1H) as most probable of possible isomeric
forms.
of quantum chemistry both in one-electronic approach, and with correlation effects. It is shown that the account
of electronic correlations allows choosing structure of coelenterazine CLZ (1H) as most probable of possible isomeric
forms.
About the authors
Lyubov' Yur'evna Antipina
Email: antipinalyu@gmail.com
Sergey Gennad'evich Ovchinnikov
Email: sgo@iph.krasn.ru
L Yu Antipina
S G Ovchinnikov
References
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