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Quantum-classical model of the rhodopsin retinal chromophore cis-trans photoisomerization with modified inter-subsystem couplingстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 24 сентября 2020 г.
- Авторы: Shigaev A.S., Feldman T.B., Nadtochenko V.A., Ostrovsky M.A., Lakhno V.D.
- Журнал: Computational and theoretical chemistry
- Том: 1181
- Год издания: 2020
- Издательство: Elsevier
- Местоположение издательства: United States
- Номер статьи: 112831
- DOI: 10.1016/j.comptc.2020.112831
- Аннотация: A modified model of the rhodopsin retinal chromophore cis-trans photoisomerization is developed, where the electronvibration coupling constant depends exponentially on displacements of mass points. The quantum subsystem of the model includes three electronic states for rhodopsin: (i) the ground state, (ii) the excited state, (iii) the primary photoproduct in the ground state. The classical subsystem includes three mass points. The modifications give sufficient improvement of agreement between computational data and experiments, with all parameters of the model being very close to the most physically realistic values. In particular, improvements concern with data on residual coherent oscillations after photoisomerization is complete.
- Добавил в систему: Фельдман Татьяна Борисовна