Rate constants from Monte Carlo quasi-classical trajectory calculations. A procedure for importance sampling

J. T. Muckerman; M. B. Faist

doi:10.1021/j100464a014

Rate constants from Monte Carlo quasi-classical trajectory calculations. A procedure for importance sampling

The Journal of Physical Chemistry ◽

10.1021/j100464a014 ◽

1979 ◽

Vol 83 (1) ◽

pp. 79-88 ◽

Cited By ~ 34

Author(s):

J. T. Muckerman ◽

M. B. Faist

Keyword(s):

Monte Carlo ◽

Importance Sampling ◽

Rate Constants ◽

Classical Trajectory ◽

Trajectory Calculations

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Monte Carlo modeling of nitric oxide formation based on quasi-classical trajectory calculations

Physics of Fluids ◽

10.1063/1.869479 ◽

1997 ◽

Vol 9 (4) ◽

pp. 1162-1170 ◽

Cited By ~ 38

Author(s):

Iain D. Boyd ◽

Deepak Bose ◽

Graham V. Candler

Keyword(s):

Nitric Oxide ◽

Monte Carlo ◽

Classical Trajectory ◽

Oxide Formation ◽

Monte Carlo Modeling ◽

Trajectory Calculations ◽

Nitric Oxide Formation

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Correction: Three-Body Collision Based Recombination Rate Constants from Quasi Classical Trajectory Calculations

AIAA Scitech 2021 Forum ◽

10.2514/6.2021-0808.c1 ◽

2021 ◽

Author(s):

Eric C. Geistfeld ◽

Thomas E. Schwartzentruber

Keyword(s):

Rate Constants ◽

Recombination Rate ◽

Classical Trajectory ◽

Trajectory Calculations ◽

Three Body

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Monte Carlo direct (test-particle) simulation of rotational and vibrational relaxation and dissociation of diatomic molecules using classical trajectory calculations

10.1063/1.1407536 ◽

2001 ◽

Cited By ~ 4

Author(s):

Katsuhisa Koura

Keyword(s):

Monte Carlo ◽

Test Particle ◽

Vibrational Relaxation ◽

Diatomic Molecules ◽

Classical Trajectory ◽

Particle Simulation ◽

Direct Test ◽

Trajectory Calculations

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Quasi-classical trajectory calculations of cross sections and rate constants for the Si + OH → SiO + H reaction

Chemical Physics Letters ◽

10.1016/j.cplett.2014.07.011 ◽

2014 ◽

Vol 610-611 ◽

pp. 335-340 ◽

Cited By ~ 8

Author(s):

A. Rivero-Santamaría ◽

F. Dayou ◽

J. Rubayo-Soneira ◽

M. Monnerville

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Classical Trajectory ◽

Trajectory Calculations

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On the Accuracy of an Analytical Potential Energy Surface for the CH4+ Cl Reaction and the Quasi-Classical Trajectory Calculations for Thermal Rate Constants

The Journal of Physical Chemistry A ◽

10.1021/jp053481n ◽

2005 ◽

Vol 109 (36) ◽

pp. 8071-8073 ◽

Cited By ~ 10

Author(s):

Cipriano Rangel ◽

Joaquín Espinosa-García ◽

José C. Corchado

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Rate Constants ◽

Energy Surface ◽

Classical Trajectory ◽

Trajectory Calculations ◽

Thermal Rate Constants ◽

Analytical Potential

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Direct simulation Monte Carlo study of rotational nonequilibrium in shock wave and spherical expansion of nitrogen using classical trajectory calculations

Physics of Fluids ◽

10.1063/1.1467059 ◽

2002 ◽

Vol 14 (5) ◽

pp. 1689-1695 ◽

Cited By ~ 21

Author(s):

Katsuhisa Koura

Keyword(s):

Shock Wave ◽

Monte Carlo ◽

Direct Simulation Monte Carlo ◽

Monte Carlo Study ◽

Classical Trajectory ◽

Direct Simulation ◽

Trajectory Calculations ◽

Spherical Expansion ◽

Simulation Monte Carlo

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Empirical testing of the suitability of a nonrandom integration method for classical trajectory calculations: Comparisons with Monte Carlo techniques

The Journal of Chemical Physics ◽

10.1063/1.1680591 ◽

1973 ◽

Vol 59 (8) ◽

pp. 4000-4008 ◽

Cited By ~ 15

Author(s):

Henry H. Suzukawa ◽

Donald L. Thompson ◽

Vera B. Cheng ◽

Max Wolfsberg

Keyword(s):

Monte Carlo ◽

Integration Method ◽

Classical Trajectory ◽

Empirical Testing ◽

Monte Carlo Techniques ◽

Trajectory Calculations

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Monte Carlo direct simulation of rotational relaxation of nitrogen through high total temperature shock waves using classical trajectory calculations

Physics of Fluids ◽

10.1063/1.869782 ◽

1998 ◽

Vol 10 (10) ◽

pp. 2689-2691 ◽

Cited By ~ 38

Author(s):

Katsuhisa Koura

Keyword(s):

Monte Carlo ◽

Shock Waves ◽

Classical Trajectory ◽

Rotational Relaxation ◽

Direct Simulation ◽

Temperature Shock ◽

Trajectory Calculations ◽

Total Temperature

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Three-Body Collision Based Recombination Rate Constants from Quasi Classical Trajectory Calculations

AIAA Scitech 2021 Forum ◽

10.2514/6.2021-0808 ◽

2021 ◽

Author(s):

Eric C. Geistfeld ◽

Thomas E. Schwartzentruber

Keyword(s):

Rate Constants ◽

Recombination Rate ◽

Classical Trajectory ◽

Trajectory Calculations ◽

Three Body

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Monte Carlo modeling of nitric oxide formation based on quasi-classical trajectory calculations

10.2514/6.1996-1845 ◽

1996 ◽

Cited By ~ 1

Author(s):

Iain Boyd ◽

Deepak Bose ◽

Graham Candler

Keyword(s):

Nitric Oxide ◽

Monte Carlo ◽

Classical Trajectory ◽

Oxide Formation ◽

Monte Carlo Modeling ◽

Trajectory Calculations ◽

Nitric Oxide Formation

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