Unimolecular Dissociation Dynamics of Vinyl Chloride on the Ground Potential Energy Surface:  The Method of Excitation and Product State Distributions of HCl and Cl Fragments†

Vinyl Chloride ◽

Energy Surface ◽

Unimolecular Dissociation ◽

Product State ◽

Dissociation Dynamics ◽

Dynamic study of the D + DAu reaction based on a new ground potential energy surface

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113540 ◽

2021 ◽

pp. 113540

Author(s):

Ai Jie Zhang ◽

Shun Xia Yu

Keyword(s):

Potential Energy ◽

Energy Surface ◽

Dynamic Study ◽

Ab initio QCISD(T) calculations of the ground potential energy surface of He3+

The Journal of Physical Chemistry ◽

10.1021/j100036a013 ◽

1995 ◽

Vol 99 (36) ◽

pp. 13397-13401 ◽

Cited By ~ 12

Author(s):

M. F. Satterwhite ◽

Gregory I. Gellene

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Energy Surface ◽

Potential-energy surface control of the NH product state distribution in the decomposition reaction HN3(X1A′)→ NH(a1Δ)+ N2(X1Σ+g)

Faraday Discussions of the Chemical Society ◽

10.1039/dc9919100319 ◽

1991 ◽

Vol 91 (0) ◽

pp. 319-335 ◽

Cited By ~ 8

Author(s):

Millard H. Alexander ◽

Paul J. Dagdigian ◽

Hans-Joachim Werner

Keyword(s):

Potential Energy ◽

Energy Surface ◽

Decomposition Reaction ◽

Product State ◽

State Distribution ◽

Surface Control

Ab initio ground potential energy surface and quasiclassical trajectory study of the O(1D)+CH4(X 1A1)→OH(X 2Π)+CH3(X 2A2″) reaction dynamics

10.1063/1.480236 ◽

1999 ◽

Vol 111 (19) ◽

pp. 8913-8924 ◽

Cited By ~ 27

Author(s):

Miguel González ◽

Jordi Hernando ◽

Irene Baños ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Energy Surface ◽

Reaction Dynamics ◽

Quasiclassical Trajectory Study of the Collision-Induced Dissociation Dynamics of Ar + CH3SH+Using an Ab Initio Interpolated Potential Energy Surface†

The Journal of Physical Chemistry A ◽

10.1021/jp052325d ◽

2006 ◽

Vol 110 (4) ◽

pp. 1225-1231 ◽

Cited By ~ 19

Author(s):

Emilio Martínez-Núñez ◽

Saulo A. Vázquez ◽

F. Javier Aoiz ◽

Jesús F. Castillo

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Energy Surface ◽

Collision Induced Dissociation ◽

Dissociation Dynamics

Ab initio ground potential energy surface, VTST and QCT study of the O(3P)+CH4(X 1A1)→OH(X 2Π)+CH3(X 2A2″) reaction

10.1063/1.478666 ◽

1999 ◽

Vol 110 (15) ◽

pp. 7326-7338 ◽

Cited By ~ 57

Author(s):

Miguel González ◽

Jordi Hernando ◽

Judith Millán ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Energy Surface ◽

The unimolecular dissociation of H2CO on the lowest triplet potential-energy surface

10.1063/1.476315 ◽

1998 ◽

Vol 108 (13) ◽

pp. 5281-5288 ◽

Cited By ~ 29

Author(s):

Yukio Yamaguchi ◽

Steven S. Wesolowski ◽

Timothy J. Van Huis ◽

Henry F. Schaefer

Keyword(s):

Potential Energy ◽

Energy Surface ◽

Unimolecular Dissociation

A quasiclassical trajectory study of the effect of the initial rovibrational level and relative translational energy of reactants on the dynamics of the N(4Su) + O2(X 3∑−g) → NO(X 2Π) + O(3Pg) atmospheric reaction on the 2A′ ground potential energy surface

Chemical Physics ◽

10.1016/0301-0104(93)85068-j ◽

1993 ◽

Vol 178 (1-3) ◽

pp. 287-303 ◽

Cited By ~ 20

Author(s):

Miquel Gilibert ◽

Antonio Aguilar ◽

Miguel González ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Energy Surface ◽

Translational Energy ◽

Atmospheric Reaction ◽

Dynamics of the N(4Su)+NO(X 2Π)→N2(X 1Σ+g)+O(3Pg) atmospheric reaction on the3A‘ ground potential energy surface. II. The effect of reagent translational, vibrational, and rotational energies

10.1063/1.465289 ◽

1993 ◽

Vol 99 (3) ◽

pp. 1719-1733 ◽

Cited By ~ 22

Author(s):

Miquel Gilibert ◽

Antonio Aguilar ◽

Miguel González ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Energy Surface ◽

Atmospheric Reaction ◽

Role of isomerization channel in unimolecular dissociation reaction H2CO→H2+CO: Ab initio global potential energy surface and classical trajectory analysis

10.1063/1.1523058 ◽

2002 ◽

Vol 117 (24) ◽

pp. 11131-11138 ◽

Cited By ~ 25

Author(s):

Takehiro Yonehara ◽

Shigeki Kato

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Trajectory Analysis ◽

Energy Surface ◽

Classical Trajectory ◽

Unimolecular Dissociation ◽

Dissociation Reaction