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...
Main Authors: | Shan, X, Burd, T, Clary, D |
---|---|
Format: | Journal article |
Language: | English |
Published: |
American Chemical Society
2019
|
Similar Items
-
Tunnelling in cyclocarbenes: an application of Semiclassical Transition State Theory in reduced dimensions
by: Burd, TAH, et al.
Published: (2019) -
Tunnelling and the kinetic isotope effect in CH3 + CH4 → CH4 + CH3: An application of semiclassical transition state theory
by: Burd, T, et al.
Published: (2018) -
Semiclassical transition state theory for chemical reactions: theory, development and applications
by: Burd, T
Published: (2020) -
Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension
by: Clary, D, et al.
Published: (2016) -
An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions
by: Greene, S, et al.
Published: (2016)