Spiers Memorial Lecture : Introductory lecture: quantum dynamics of chemical reactions
نویسندگان
چکیده
منابع مشابه
Spiers Memorial Lecture Quantum and semiclassical theory of chemical reaction rates
Transition state theory (TST) has provided the qualitative picture of chemical reaction rates for over sixty years. Recent theoretical developments, however, have made it possible to calculate rate constants fully quantum mechanically and efficiently, at least for small molecular systems ; vestiges of TST can be seen both in the resulting Ñux correlation functions and in the algorithmic structu...
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ژورنال
عنوان ژورنال: Faraday Discussions
سال: 2018
ISSN: 1359-6640,1364-5498
DOI: 10.1039/c8fd00131f