Home / Articles / Use of the Classical Trajectory Method in Modelling the Dynamics of Atom–Molecule Collisions in Chemical Reactions

Use of the Classical Trajectory Method in Modelling the Dynamics of Atom–Molecule Collisions in Chemical Reactions

Mikhail Yankelevich Gol'denberg 1
Mikhail Yankelevich Gol'denberg
, 
Nikolay Mikhailovich Kuznetsov 1
Nikolay Mikhailovich Kuznetsov
1 Institute of Chemical Physics of the USSR Academy of Sciences, Moscow
10.1070/RC1982v051n07ABEH002885
Published 30 November 1981
Communication , Volume 51, Issue 7, 612-621
0
Share
Cite this
GOST
 | 
Cite this
GOST
Copy cite
Gol'denberg M. Y., Kuznetsov N. M. Use of the Classical Trajectory Method in Modelling the Dynamics of Atom–Molecule Collisions in Chemical Reactions // Russian Chemical Reviews. 1982. Vol. 51. No. 7. pp. 612-621.
GOST all authors (up to 50)
Copy cite
Gol'denberg M. Y., Kuznetsov N. M. Use of the Classical Trajectory Method in Modelling the Dynamics of Atom–Molecule Collisions in Chemical Reactions // Russian Chemical Reviews. 1982. Vol. 51. No. 7. pp. 612-621.
RIS
 | 
Cite this
RIS
Copy cite
TY - JOUR
DO - 10.1070/RC1982v051n07ABEH002885
UR - https://rcr.colab.ws/publications/10.1070/RC1982v051n07ABEH002885
TI - Use of the Classical Trajectory Method in Modelling the Dynamics of Atom–Molecule Collisions in Chemical Reactions
T2 - Russian Chemical Reviews
AU - Gol'denberg, Mikhail Yankelevich
AU - Kuznetsov, Nikolay Mikhailovich
PY - 1982
DA - 1981/11/30
PB - ANO Editorial Board of the journal Uspekhi Khimii
SP - 612-621
IS - 7
VL - 51
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors)
Copy cite
@article{1982_Gol'denberg,
author = {Mikhail Yankelevich Gol'denberg and Nikolay Mikhailovich Kuznetsov},
title = {Use of the Classical Trajectory Method in Modelling the Dynamics of Atom–Molecule Collisions in Chemical Reactions},
journal = {Russian Chemical Reviews},
year = {1982},
volume = {51},
publisher = {ANO Editorial Board of the journal Uspekhi Khimii},
month = {Nov},
url = {https://rcr.colab.ws/publications/10.1070/RC1982v051n07ABEH002885},
number = {7},
pages = {612--621},
doi = {10.1070/RC1982v051n07ABEH002885}
}
MLA
Cite this
MLA
Copy cite
Gol'denberg, Mikhail Yankelevich, and Nikolay Mikhailovich Kuznetsov. “Use of the Classical Trajectory Method in Modelling the Dynamics of Atom–Molecule Collisions in Chemical Reactions.” Russian Chemical Reviews, vol. 51, no. 7, Nov. 1982, pp. 612-621. https://rcr.colab.ws/publications/10.1070/RC1982v051n07ABEH002885.
Views / Visits / Downloads
24 / 24 / 4

Abstract

This review discusses methods of modelling atom–molecule collisions in chemical reactions by calculating the classical trajectories, and the application of these methods in studies of the dynamics and kinetics of bimolecular and unimolecular reactions. The discussion includes methods of defining and analysing the potential energy surface, methods of calculating the trajectories in multidimensional phase space, and statistical methods of controlling numerical experiments (selection of initial parameters, calculation of the distribution function of the active molecule with respect to life-time, etc.).
154 references.