Representing and Selecting Vibrational Angular Momentum States for Quasiclassical Trajectory Chemical Dynamics Simulations-Reference-Cited by-同舟云学术

Representing and Selecting Vibrational Angular Momentum States for Quasiclassical Trajectory Chemical Dynamics Simulations

Published:2007-09-08 Issue:41 Volume:111 Page:10292-10301
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lourderaj Upakarasamy¹,Martínez-Núñez Emilio¹,Hase William L.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, and Departamento de Química Física, Universidad de Santiago de Compostela, E-15782, Santiago de Compostela SPAIN

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp073317v

Reference43 articles.

1. Peslherbe, G. H.; Wang, H.; Hase, W. L. InMonte Carlo Methods inChemical Physics, Advances in Chemical Physics,Ferguson, D. M., Siepman, J. I., Truhlar, D. G., Eds; Wiley: New York, 1999; Vol. 105, pp 171−201.

2. A new tunneling path for reactions such as H+H2→H2+H

3. A quasiclassical trajectory calculation of the atomic hydrogen + ethylene .fwdarw. ethyl bimolecular rate constant

4. Classical mechanics of intramolecular vibrational energy flow in benzene. IV. Models with reduced dimensionality

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