Rotational energy transfer in collisions of internally excited molecules. Effect of initial conditions and potential energy surface

The Journal of Chemical Physics ◽

10.1063/1.444871 ◽

1983 ◽

Vol 78 (3) ◽

pp. 1335-1338 ◽

Author(s):

Donald L. Thompson ◽

Normand C. Blais ◽

Donald G. Truhlar

Keyword(s):

Energy Transfer ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Initial Conditions ◽

Rotational Energy ◽

Rotational Energy Transfer ◽

Excited Molecules

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Inelastic scattering calculations in polyatomic systems using an ab initio intermolecular potential energy surface. II. Rotational energy transfer in CO2–H2 collisions

The Journal of Chemical Physics ◽

10.1063/1.439550 ◽

1980 ◽

Vol 72 (5) ◽

pp. 3163-3178 ◽

Author(s):

N. Sathyamurthy ◽

L. M. Raff

Keyword(s):

Energy Transfer ◽

Potential Energy ◽

Potential Energy Surface ◽

Inelastic Scattering ◽

Ab Initio ◽

Energy Surface ◽

Rotational Energy ◽

Intermolecular Potential ◽

Rotational Energy Transfer ◽

Polyatomic Systems

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van der Waals interaction of HNCO and H2: Potential Energy Surface and Rotational Energy Transfer

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.8b00150 ◽

2018 ◽

Vol 122 (11) ◽

pp. 3004-3012 ◽

Author(s):

Emna Sahnoun ◽

Laurent Wiesenfeld ◽

Kamel Hammami ◽

Nejmeddine Jaidane

Keyword(s):

Energy Transfer ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Van Der Waals ◽

Rotational Energy ◽

Van Der Waals Interaction ◽

Rotational Energy Transfer

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Comparison of close coupling and quasiclassical trajectory calculations for rotational energy transfer in the collision of two HF molecules on a realistic potential energy surface

The Journal of Chemical Physics ◽

10.1063/1.453253 ◽

1987 ◽

Vol 87 (2) ◽

pp. 983-992 ◽

Author(s):

David W. Schwenke ◽

Donald G. Truhlar ◽

Michael E. Coltrin

Keyword(s):

Energy Transfer ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Rotational Energy ◽

Close Coupling ◽

Realistic Potential ◽

Trajectory Calculations ◽

Rotational Energy Transfer

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Sensitivity of Vibrational and Rotational Energy Transfer to the Potential Energy Surface in the Collision of Two Molecules

ACS Symposium Series - Supercomputer Research in Chemistry and Chemical Engineering ◽

10.1021/bk-1987-0353.ch011 ◽

1987 ◽

pp. 176-199

Author(s):

David W. Schwenke ◽

Donald G. Truhlar

Keyword(s):

Energy Transfer ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Rotational Energy ◽

Rotational Energy Transfer

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Potential Energy Surface and Vibrational−Rotational Energy Levels of Hydrogen Peroxide

The Journal of Physical Chemistry A ◽

10.1021/jp9812583 ◽

1998 ◽

Vol 102 (31) ◽

pp. 6325-6330 ◽

Author(s):

Jacek Koput ◽

Stuart Carter ◽

Nicholas C. Handy

Keyword(s):

Hydrogen Peroxide ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Energy Levels ◽

Rotational Energy

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Rovibrational energy transfer in the He-C3 collision: Potential energy surface and bound states

The Journal of Chemical Physics ◽

10.1063/1.4866839 ◽

2014 ◽

Vol 140 (8) ◽

pp. 084316 ◽

Author(s):

Otoniel Denis-Alpizar ◽

Thierry Stoecklin ◽

Philippe Halvick

Keyword(s):

Energy Transfer ◽

Potential Energy ◽

Potential Energy Surface ◽

Bound States ◽

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Abinitiocalculation of the OH (X 2Π,A 2Σ+)+Ar potential energy surfaces and quantum scattering studies of rotational energy transfer in the OH (A 2Σ+) state

The Journal of Chemical Physics ◽

10.1063/1.458816 ◽

1990 ◽

Vol 93 (5) ◽

pp. 3351-3366 ◽

Author(s):

Alessandra Degli Esposti ◽

Hans‐Joachim Werner

Keyword(s):

Energy Transfer ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Rotational Energy ◽

Quantum Scattering ◽

Rotational Energy Transfer ◽

Energy Surfaces

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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

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The He–LiH potential energy surface revisited. II. Rovibrational energy transfer on a three-dimensional surface

The Journal of Chemical Physics ◽

10.1063/1.1851495 ◽

2005 ◽

Vol 122 (7) ◽

pp. 074308 ◽

Author(s):

Brian K. Taylor ◽

Robert J. Hinde

Keyword(s):

Energy Transfer ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Three Dimensional ◽

Dimensional Surface

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Theoretical Investigations of Intramolecular Energy Transfer Rates and Pathways for Vinyl Bromide on an ab Initio Potential-Energy Surface

The Journal of Physical Chemistry A ◽

10.1021/jp001696l ◽

2001 ◽

Vol 105 (11) ◽

pp. 2147-2155 ◽

Author(s):

Asif Rahaman ◽

Lionel M. Raff

Keyword(s):

Energy Transfer ◽

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Intramolecular Energy Transfer ◽

Transfer Rates ◽

Vinyl Bromide ◽

Theoretical Investigations

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