The calculation of chemical reaction rate constants is of importance to much of chemistry and biology. Here we outline useful theoretical methods and numerical techniques for single and many dimensional systems for weak and strong collision models and discuss connections between di†erent theories from a uniÐed point of view.
The transition state theory of chemical reactions has proven to be a formidable tool for analyzing c...
Many students are familiar with the idea of modeling chemical reactions in terms of ordinary differe...
Transition-state theory is one of the most successful theories in chemistry. Not only does it provid...
The choice of the state space representation of a system can turn into a prominent advantage or burd...
The classical mechanics of chemically reactive linear collisions is investigated for vibrationally n...
Transition state theory (TST) has historically been the most important and widely used theoretical a...
The prediction of an atomistic system's macroscopic observables from microscopic physical characteri...
In this review article, we present a systematic comparison of the theoretical rate constants for a r...
Henry Eyring's absolute rate theory explains the size of chemical reaction rate constants in terms o...
Over the last years, a new geometrical perspective on transition state theory has been developed tha...
Chemistry is concerned with the transformation of matter. In more detail, it is concerned with the b...
Over the last years, a new geometrical perspective on transition state theory has been developed tha...
Over the last years, a new geometrical perspective on transition state theory has been developed tha...
We report the results of a theoretical/computational research program to develop methods and to inve...
Chemical equilibrium is fully characterized at thermodynamic level by the free energy: the equilibri...
The transition state theory of chemical reactions has proven to be a formidable tool for analyzing c...
Many students are familiar with the idea of modeling chemical reactions in terms of ordinary differe...
Transition-state theory is one of the most successful theories in chemistry. Not only does it provid...
The choice of the state space representation of a system can turn into a prominent advantage or burd...
The classical mechanics of chemically reactive linear collisions is investigated for vibrationally n...
Transition state theory (TST) has historically been the most important and widely used theoretical a...
The prediction of an atomistic system's macroscopic observables from microscopic physical characteri...
In this review article, we present a systematic comparison of the theoretical rate constants for a r...
Henry Eyring's absolute rate theory explains the size of chemical reaction rate constants in terms o...
Over the last years, a new geometrical perspective on transition state theory has been developed tha...
Chemistry is concerned with the transformation of matter. In more detail, it is concerned with the b...
Over the last years, a new geometrical perspective on transition state theory has been developed tha...
Over the last years, a new geometrical perspective on transition state theory has been developed tha...
We report the results of a theoretical/computational research program to develop methods and to inve...
Chemical equilibrium is fully characterized at thermodynamic level by the free energy: the equilibri...
The transition state theory of chemical reactions has proven to be a formidable tool for analyzing c...
Many students are familiar with the idea of modeling chemical reactions in terms of ordinary differe...
Transition-state theory is one of the most successful theories in chemistry. Not only does it provid...