Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism
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منابع مشابه
Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism
Reactions occurring at a carbon atom through the Walden inversion mechanism are one of the most important and useful classes of reactions in chemistry. Here we report an accurate theoretical study of the simplest reaction of that type: the H+CH4 substitution reaction and its isotope analogues. It is found that the reaction threshold versus collision energy is considerably higher than the barrie...
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ژورنال
عنوان ژورنال: Nature Communications
سال: 2017
ISSN: 2041-1723
DOI: 10.1038/ncomms14506