Conference publications

Theoretical Investigation of Circular Dichroism Spectra of Cytochrome c Oxidase

Dyuba A. V., Krasil`nikov P. M.

"Математика. Компьютер. Образование". Cб. трудов XV международной конференции. Под общей редакцией Г.Ю. Ризниченко Ижевск: Научно-издательский центр "Регулярная и хаотическая динамика", 2008. Vol. 3, 200pp. Pp. 8-17. (accepted)

The absorption and circular dichroism spectra of hemes a and a3 of cytochrome c oxidase are investigated with the methods of quantum chemistry. The energy levels of first ten exited states of high-spin heme a3 are calculated; energies and intensities of absorption bands of low-spin heme a are estimated

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