Effect of electron correlations on the structure of photoprotein substrates

Описание

Тип публикации: статья из журнала

Год издания: 2010

Идентификатор DOI: 10.1134/S0021364010090122

Аннотация: 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 tПоказать полностьюhe 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.

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Издание

Журнал: JETP LETTERS

Выпуск журнала: Vol. 91, Is. 9

Номера страниц: 490-493

ISSN журнала: 00213640

Место издания: NEW YORK

Издатель: MAIK NAUKA/INTERPERIODICA/SPRINGER

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