Classical theories of reaction dynamics: Transition state theory, spatial diffusion controlled reactions, and the energy diffusion limit

1998 ◽  
Vol 94 (18) ◽  
pp. 2717-2723 ◽  
Author(s):  
Bruce J. Berne ◽  
Michal Borkovec
Keyword(s):  
Transition State ◽  
Transition State Theory ◽  
Reaction Dynamics ◽  
State Theory ◽  
Spatial Diffusion ◽  
Diffusion Limit ◽  
Energy Diffusion ◽  
Diffusion Controlled

scholarly journals Transition State Theory: A Reaction Dynamics Tool Applied to Gas-Surface Reactions

2009 ◽  
Vol 3 (1) ◽  
pp. A0029 ◽  
Author(s):  
Jean-Claude Rayez ◽  
Laurent Bonnet ◽  
Pascal Larrégaray ◽  
Aurélie Perrier
Keyword(s):  
Transition State ◽  
Transition State Theory ◽  
Surface Reactions ◽  
Reaction Dynamics ◽  
State Theory

scholarly journals VRAI-Selectivity: Calculation of Selectivity Beyond Transition State Theory

2021 ◽  
Author(s):  
Sanha Lee ◽  
Jonathan Goodman
Keyword(s):  
Transition State ◽  
Transition State Theory ◽  
Reaction Dynamics ◽  
State Theory ◽  
Organic Reactions

In recent years, a growing number of organic reactions in literature have shown selectivity controlled by reaction dynamics rather than by transition state theory. Such reactions are difficult to analyse...

Transition State Theory and Reaction Dynamics – An Overview

2003 ◽  
pp. 87-96
Author(s):  
Ward H. Thompson ◽  
Philip M. Kiefer ◽  
James T. Hynes
Keyword(s):  
Transition State ◽  
Transition State Theory ◽  
Reaction Dynamics ◽  
State Theory

VARIATIONAL TRANSITION STATE THEORY FOR ACTIVATED RATE PROCESSES IN DISSIPATIVE SYSTEMS

1991 ◽  
Vol 05 (01) ◽  
pp. 13-20 ◽  
Author(s):  
ELI POLLAK
Keyword(s):  
Transition State ◽  
Transition State Theory ◽  
Upper Bounds ◽  
State Theory ◽  
Dissipative Systems ◽  
Dissipative Medium ◽  
Variational Transition State Theory ◽  
Diffusion Limited ◽  
Energy Diffusion ◽  
Rate Processes

Variational upper bounds are derived for the spatial and energy diffusion limited escape rate of a particle trapped in a metastable well and interacting with a dissipative medium. The theory is well defined for arbitrary memory friction and accounts explicitly for the nonlinearity of the potential governing the motion of the escaping particle.

scholarly journals Application of Transition State Theory to Estimate Diffusion Controlled Bimolecular Reaction Rate Constants.

1981 ◽  
Vol 35b ◽  
pp. 529-531 ◽  
Author(s):  
Vernon D. Parker ◽  
Ann-Marie Eklund ◽  
Toshiaki Nishida ◽  
Curt R. Enzell ◽  
Curt R. Enzell
Keyword(s):  
Transition State ◽  
Rate Constants ◽  
Transition State Theory ◽  
Reaction Rate ◽  
Bimolecular Reaction ◽  
State Theory ◽  
Reaction Rate Constants ◽  
Diffusion Controlled
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