Understanding Chemical Reactions beyond Transition-State Theory
نویسندگان
چکیده
منابع مشابه
Transition state theory for laser-driven reactions.
Recent developments in transition state theory brought about by dynamical systems theory are extended to time-dependent systems such as laser-driven reactions. Using time-dependent normal form theory, the authors construct a reaction coordinate with regular dynamics inside the transition region. The conservation of the associated action enables one to extract time-dependent invariant manifolds ...
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Transition-state theory (TST),’ as all chemists know, provides a marvelously simple and useful way to understand and estimate the rates of chemical reactions. The fundamental assumption2 of transition-state theory (Le., direct dynamics, no recrossing trajectories; see below), however, is based inherently on classical mechanics, so the theory must be quantized if it is to provide a quantitative ...
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ژورنال
عنوان ژورنال: CHIMIA International Journal for Chemistry
سال: 2018
ISSN: 0009-4293
DOI: 10.2533/chimia.2018.309