Theoretical Determination of Rate Constants from Excited-States: Application to Benzophenone
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Abstract
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.
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- last seen: 2026-05-19T01:45:01.086888+00:00