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Importance of Anharmonicity, Recrossing Effects, and Quantum Mechanical Tunneling in Transition State Theory with Semiclassical Tunneling. A Test Case: The H 2 + Cl Hydrogen Abstraction Reaction †
Sansón, Jorge A., Sánchez, María-Luz, Corchado, José C.Volume:
110
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp052849d
Date:
January, 2006
File:
PDF, 185 KB
english, 2006