Analytic dynamical corrections to transition state theory
نویسندگان
چکیده
منابع مشابه
Transition state theory: variational formulation, dynamical corrections, and error estimates.
Transition state theory (TST) is revisited, as well as evolutions upon TST such as variational TST in which the TST dividing surface is optimized so as to minimize the rate of recrossing through this surface and methods which aim at computing dynamical corrections to the TST transition rate constant. The theory is discussed from an original viewpoint. It is shown how to compute exactly the mean...
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ژورنال
عنوان ژورنال: New Journal of Physics
سال: 2016
ISSN: 1367-2630
DOI: 10.1088/1367-2630/18/1/013023