Comparisons of classical and Wigner sampling of transition state energy levels for quasiclassical trajectory chemical dynamics simulations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3463717
Reference74 articles.
1. Classical Trajectory Methods
2. D. G. Truhlar and J. T. Muckerman, inAtom-Molecular Collision Theory, edited by R. B. Bernstein (Plenum, New York, 1976), pp. 505–566.
3. Monte Carlo Sampling for Classical Trajectory Simulations
4. A Direct Dynamics Trajectory Study of F- + CH3OOH Reactive Collisions Reveals a Major Non-IRC Reaction Path
5. Classical trajectory calculation of the benzene overtone spectra
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