Calculating RRKM Rate Constants from Vibrational Frequencies and Their Dynamic Interpretation
نویسندگان
چکیده
منابع مشابه
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A new approach for the calculation of vibrational energy relaxation rate constants is introduced. The new approach is based on linear response theory, and is shown to have several distinct advantages over the standard Landau–Teller formula, which is based on the Bloch–Redfield theory, namely: ~1! weak system–bath coupling is not assumed; ~2! selectivity in choosing the vibrational energy relaxa...
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ژورنال
عنوان ژورنال: The Mathematica Journal
سال: 2017
ISSN: 1097-1610
DOI: 10.3888/tmj.19-5