Method for quasiclassical trajectory calculations on potential energy surfaces defined from gradients and Hessians, and model to constrain the energy in vibrational modes-Reference-Cited by-同舟云学术

Method for quasiclassical trajectory calculations on potential energy surfaces defined from gradients and Hessians, and model to constrain the energy in vibrational modes

Published:1994-02 Issue:3 Volume:100 Page:1908-1920
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Varandas A. J. C.,Marques J. M. C.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.466544

Reference57 articles.

1. Theory, Experiment Team Up To Probe "Simplest" Reaction

2. A coupled states quantum reactive scattering study of H + D2 → HD + D ATErel(υ = j = 0) = 0.55 eV

3. Comparison of quasiclassical trajectory calculations to accurate quantum mechanics for state‐to‐state partial cross sections at low total angular momentum for the reaction D+H2→HD+H

4. Are classical molecular dynamics calculations accurate for state-to-state transition probabilities in the atomic hydrogen + deuterium reaction?

5. Integral cross sections for atomic hydrogen + hydrogen(0,0) .fwdarw. hydrogen(0,j') + hydrogen atom: comparison of quasiclassical and quantum results

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