New developments in Semiclassical Transition-State Theory

This Feature Article describes some recent developments and applications of the Semiclassical Transition-State Theory (SCTST) for treating quantum tunneling in chemical reactions. A reduced dimensional form of the SCTST is discussed and is shown to be particularly efficient, as the required number o...

Полное описание

Библиографические подробности
Главные авторы: Shan, X, Burd, T, Clary, D
Формат: Journal article
Язык:English
Опубликовано: American Chemical Society 2019