Generalized transition state theory in terms of the potential of mean force
Top Cited Papers
- 22 September 2003
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 119 (12) , 5828-5833
- https://doi.org/10.1063/1.1597477
Abstract
The relationship between the free energy of activation and the potential of mean force is derived for reaction coordinates that are arbitrary functions of all the coordinates defining a system. The general result is illustrated for rectilinear reaction coordinates, bond distance reaction coordinates, atom transfer reaction coordinates, synchronous double atom transfer reaction coordinates, and energy gap reaction coordinates.Keywords
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