Microcanonical Transition State Theory for Activated Gas−Surface Reaction Dynamics:  Application to H2/Cu(111) with Rotation as a Spectator

2007 ◽  
Vol 111 (39) ◽  
pp. 9871-9883 ◽  
Author(s):  
Heather L. Abbott ◽  
Ian Harrison
Keyword(s):  
Transition State ◽  
Transition State Theory ◽  
Surface Reaction ◽  
Reaction Dynamics ◽  
State Theory

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
Sign in / Sign up

Export Citation Format

Share Document