VRAI-selectivity: calculation of selectivity beyond transition state theory
نویسندگان
چکیده
We present the VRAI-selectivity program which predicts major product and selectivity not only for transition-state controlled reactions but also processes by reaction dynamics.
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ژورنال
عنوان ژورنال: Organic and Biomolecular Chemistry
سال: 2021
ISSN: ['1477-0520', '1477-0539']
DOI: https://doi.org/10.1039/d1ob00234a