A rigorous quantum mechanical theory (and a semiclassical approximation thereto) is described for calculating chemical reaction rates ``directly``, i.e., without having to solve the complete state-to-state reactive scattering problem. The approach has many vestiges of transition state theory, for which it may be thought of as the rigorous generalization
Calculation of chemical reaction dynamics is central to theoretical chemistry. The majority of calcu...
Calculation of chemical reaction dynamics is central to theoretical chemistry. The majority of calcu...
Semiclassical Transition State Theory (SCTST) is an efficient rate theory, which aims to calculate t...
Transition state theory (TST) has historically been the most important and widely used theoretical a...
The field of chemical kinetics is an exciting and active field. The prevailing theories make a numbe...
The field of chemical kinetics is an exciting and active field. The prevailing theories make a numbe...
First-principles calculations of chemical reaction rate constants have useful applications in a vari...
First-principles calculations of chemical reaction rate constants have useful applications in a vari...
If one wishes to describe a chemical reaction at the most detailed level possible, i.e., its state-t...
Semiclassical Transition State Theory (SCTST), a method for calculating rate constants of chemical r...
A general semiclassical (multidimensional WKB-type) approximation to quantum mechanics is reviewed. ...
Transition-state theory is one of the most successful theories in chemistry. Not only does it provid...
Semiclassical techniques have been widely used for describing the dynamics of molecular collisions. ...
The reduced‐dimensionality procedures have particular advantages in applications to chemical reactio...
Transition-state theory is one of the most successful theories in chemistry. Not only does it provid...
Calculation of chemical reaction dynamics is central to theoretical chemistry. The majority of calcu...
Calculation of chemical reaction dynamics is central to theoretical chemistry. The majority of calcu...
Semiclassical Transition State Theory (SCTST) is an efficient rate theory, which aims to calculate t...
Transition state theory (TST) has historically been the most important and widely used theoretical a...
The field of chemical kinetics is an exciting and active field. The prevailing theories make a numbe...
The field of chemical kinetics is an exciting and active field. The prevailing theories make a numbe...
First-principles calculations of chemical reaction rate constants have useful applications in a vari...
First-principles calculations of chemical reaction rate constants have useful applications in a vari...
If one wishes to describe a chemical reaction at the most detailed level possible, i.e., its state-t...
Semiclassical Transition State Theory (SCTST), a method for calculating rate constants of chemical r...
A general semiclassical (multidimensional WKB-type) approximation to quantum mechanics is reviewed. ...
Transition-state theory is one of the most successful theories in chemistry. Not only does it provid...
Semiclassical techniques have been widely used for describing the dynamics of molecular collisions. ...
The reduced‐dimensionality procedures have particular advantages in applications to chemical reactio...
Transition-state theory is one of the most successful theories in chemistry. Not only does it provid...
Calculation of chemical reaction dynamics is central to theoretical chemistry. The majority of calcu...
Calculation of chemical reaction dynamics is central to theoretical chemistry. The majority of calcu...
Semiclassical Transition State Theory (SCTST) is an efficient rate theory, which aims to calculate t...