Classical Trajectory Study of Energy Transfer in Collisions of Highly Excited Allyl Radical with Argon

Riccardo Conte; Paul L. Houston; Joel M. Bowman

doi:10.1021/jp410315r

Classical Trajectory Study of Energy Transfer in Collisions of Highly Excited Allyl Radical with Argon

The Journal of Physical Chemistry A ◽

10.1021/jp410315r ◽

2013 ◽

Vol 117 (51) ◽

pp. 14028-14041 ◽

Cited By ~ 22

Author(s):

Riccardo Conte ◽

Paul L. Houston ◽

Joel M. Bowman

Keyword(s):

Energy Transfer ◽

Classical Trajectory ◽

Allyl Radical

A classical trajectory study of collisional energy transfer in thermal unimolecular reactions

The Journal of Chemical Physics ◽

10.1063/1.436169 ◽

1978 ◽

Vol 68 (7) ◽

pp. 3028-3039 ◽

Cited By ~ 80

Author(s):

A. J. Stace ◽

J. N. Murrell

Keyword(s):

Energy Transfer ◽

Classical Trajectory ◽

Unimolecular Reactions ◽

Collisional Energy ◽

Collisional Energy Transfer

Quasi-Classical Trajectory Study of Inelastic Collision Energy Transfer between H2CO and H2 on a Full-Dimensional Potential Energy Surface

Chemical Physics Letters ◽

10.1016/j.cplett.2021.139014 ◽

2021 ◽

pp. 139014

Author(s):

Lifen Guo ◽

Wei Wang ◽

Yan Liu ◽

Dandan Ma ◽

Chan Xu ◽

...

Keyword(s):

Energy Transfer ◽

Potential Energy ◽

Potential Energy Surface ◽

Collision Energy ◽

Inelastic Collision ◽

Energy Surface ◽

Classical Trajectory ◽

Collision Energy Transfer

Combined classical trajectory and quantum scattering analysis of collision‐induced vibrational energy transfer. Deactivation of HCl(v=1) in an Ar gas

The Journal of Chemical Physics ◽

10.1063/1.465220 ◽

1993 ◽

Vol 99 (4) ◽

pp. 2567-2582 ◽

Cited By ~ 12

Author(s):

Thomas D. Sewell ◽

Sture Nordholm ◽

Adolf Miklavc

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Classical Trajectory ◽

Quantum Scattering ◽

Vibrational Energy Transfer ◽

Ar Gas

Classical trajectory study of energy transfer between argon atoms and vibrationally-rotationally excited ozone molecules

The Journal of Physical Chemistry ◽

10.1021/j100266a009 ◽

1985 ◽

Vol 89 (20) ◽

pp. 4189-4194 ◽

Cited By ~ 18

Author(s):

Alan Gelb

Keyword(s):

Energy Transfer ◽

Classical Trajectory

Vibrational-rotational-translational energy transfer in argon + hydroxyl. Quasi-classical-trajectory state-to-state cross sections

The Journal of Physical Chemistry ◽

10.1021/j100210a059 ◽

1982 ◽

Vol 86 (13) ◽

pp. 2538-2549 ◽

Cited By ~ 25

Author(s):

Donald L. Thompson

Keyword(s):

Energy Transfer ◽

Cross Sections ◽

Classical Trajectory ◽

Translational Energy

Simplified Representation of Multichannel Thermal Unimolecular Reactions. II. Refined Parametrization of Formaldehyde Dissociation

Zeitschrift für Physikalische Chemie ◽

10.1515/zpch-2019-1580 ◽

2020 ◽

Vol 234 (7-9) ◽

pp. 1359-1369 ◽

Cited By ~ 1

Author(s):

Anatoli I. Maergoiz ◽

Jürgen Troe ◽

Vladimir Ushakov

Keyword(s):

Energy Transfer ◽

Energy Surface ◽

Branching Fractions ◽

Classical Trajectory ◽

Collisional Energy ◽

Trajectory Calculations ◽

The Difference ◽

Threshold Energies ◽

Atom Dynamics ◽

Collisional Energy Transfer

AbstractSimplified representations of branching fractions for thermal unimolecular two-channel reactions are discussed. The dissociation of formaldehyde serves as an illustrative example. Quantum-corrected classical trajectory calculations on an ab initio potential energy surface are combined with master equation calculations for collisional energy transfer. The treatment accounts for roaming atom dynamics. The dependence of the channel branching fractions on the bath gas pressure and temperature, on the collision efficiencies, and on the difference of channel threshold energies, are explored. It is discussed to what extent the derived simplified representations of channel branching fractions can be generalized.

On a Classical Trajectory Study of Energy Transfer in Some Atom‐Diatomic Molecule Systems

The Journal of Chemical Physics ◽

10.1063/1.1677733 ◽

1972 ◽

Vol 56 (7) ◽

pp. 3570-3580 ◽

Cited By ~ 56

Author(s):

Donald L. Thompson

Keyword(s):

Energy Transfer ◽

Diatomic Molecule ◽

Classical Trajectory

Collisional Energy Transfer in the Gas Phase by Classical Trajectory Calculations

Theory of Chemical Reaction Dynamics - NATO Science Series II: Mathematics, Physics and Chemistry ◽

10.1007/1-4020-2165-8_21 ◽

2006 ◽

pp. 435-446 ◽

Cited By ~ 1

Author(s):

V. Bernstein ◽

I. Oref

Keyword(s):

Energy Transfer ◽

Gas Phase ◽

Classical Trajectory ◽

Collisional Energy ◽

Trajectory Calculations ◽

Collisional Energy Transfer

Energy transfer processes in monochromatically excited iodine. IX. Classical trajectory and semiclassical calculations of vibrationally and rotationally inelastic cross sections

The Journal of Chemical Physics ◽

10.1063/1.1681494 ◽

1974 ◽

Vol 60 (8) ◽

pp. 3082-3097 ◽

Cited By ~ 56

Author(s):

M. Rubinson ◽

B. Garetz ◽

J. I. Steinfeld

Keyword(s):

Energy Transfer ◽

Cross Sections ◽

Classical Trajectory ◽

Transfer Processes

Classical Trajectory Study of Energy Transfer in Pyrazine−CO Collisions†

The Journal of Physical Chemistry A ◽

10.1021/jp003980i ◽

2001 ◽

Vol 105 (12) ◽

pp. 2858-2866 ◽

Cited By ~ 9

Author(s):

Cortney Higgins ◽

Quan Ju ◽

Natalie Seiser ◽

George W. Flynn ◽

Sally Chapman

Keyword(s):

Energy Transfer ◽

Classical Trajectory