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Theoretical Determination of Rate Constants from Excited-States: Application to Benzophenone

preprint
submitted on 21.05.2021, 08:51 and posted on 24.05.2021, 07:46 by Katsuyuki Shizu, Hironori Kaji
A cost-effective method of theoretically predicting electronic transition rate constants from the excited-states of molecules is reported. This method is based on density functional theory calculations of electronic states and quantitative rate constant determination with the Fermi golden rule.

History

Email Address of Submitting Author

kaji@scl.kyoto-u.ac.jp

Institution

Institute for Chemical Research, Kyoto University

Country

Japan

ORCID For Submitting Author

0000-0002-5111-3852

Declaration of Conflict of Interest

The authors declare no competing financial interest.