A quasiclassical trajectory study for the atmospheric reaction based on a new ground potential energy surface

Chemical Physics ◽

10.1016/j.chemphys.2005.01.033 ◽

2005 ◽

Vol 315 (1-2) ◽

pp. 87-96 ◽

Author(s):

Jianfeng He ◽

Shixing Liu ◽

Xueshen Liu ◽

Peizhu Ding

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Atmospheric Reaction ◽

Ground Potential

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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 ◽

Author(s):

Miquel Gilibert ◽

Antonio Aguilar ◽

Miguel González ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Translational Energy ◽

Atmospheric Reaction ◽

Ground Potential

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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

The Journal of Chemical Physics ◽

10.1063/1.465289 ◽

1993 ◽

Vol 99 (3) ◽

pp. 1719-1733 ◽

Author(s):

Miquel Gilibert ◽

Antonio Aguilar ◽

Miguel González ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Atmospheric Reaction ◽

Ground Potential

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Dynamics of the N(4S)+NO(X 2Π)→N2(X 1Σ+g)+O(3P) atmospheric reaction on the3A″ ground potential energy surface. III. Quantum dynamical study and comparison with quasiclassical and experimental results

The Journal of Chemical Physics ◽

10.1063/1.470638 ◽

1995 ◽

Vol 103 (11) ◽

pp. 4496-4508 ◽

Author(s):

Antonio Aguilar ◽

Miquel Gilibert ◽

Xavier Giménez ◽

Miguel González ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Experimental Results ◽

Dynamical Study ◽

Quantum Dynamical ◽

Atmospheric Reaction ◽

Ground Potential

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Quasiclassical trajectory study of the N(4Su) + O2 (X 3Σ−g)→NO (X 2Π) + O (3Pg) atmospheric reaction on the 2A′ ground potential energy surface employing an analytical Sorbie—Murrell potential

Chemical Physics ◽

10.1016/0301-0104(93)80109-m ◽

1993 ◽

Vol 172 (1) ◽

pp. 99-115 ◽

Author(s):

Miquel Gilibert ◽

Antonio Aguilar ◽

Miguel González ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Atmospheric Reaction ◽

Ground Potential

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Dynamics of the N(4Su) + NO(X 2Π) → N2(X 1Σg+) + O(3Pg) atmospheric reaction on the 3A‘ ground potential energy surface. I. Analytical potential energy surface and preliminary quasiclassical trajectory calculations

The Journal of Chemical Physics ◽

10.1063/1.463787 ◽

1992 ◽

Vol 97 (8) ◽

pp. 5542-5553 ◽

Author(s):

Miquel Gilibert ◽

Antonio Aguilar ◽

Miguel González ◽

Fernando Mota ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Trajectory Calculations ◽

Analytical Potential ◽

Atmospheric Reaction ◽

Ground Potential

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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 ◽

Potential Energy Surface ◽

Energy Surface ◽

Dynamic Study ◽

Ground Potential

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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 ◽

Author(s):

M. F. Satterwhite ◽

Gregory I. Gellene

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Ground Potential

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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

The Journal of Chemical Physics ◽

10.1063/1.480236 ◽

1999 ◽

Vol 111 (19) ◽

pp. 8913-8924 ◽

Author(s):

Miguel González ◽

Jordi Hernando ◽

Irene Baños ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Reaction Dynamics ◽

Ground Potential

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

The Journal of Chemical Physics ◽

10.1063/1.478666 ◽

1999 ◽

Vol 110 (15) ◽

pp. 7326-7338 ◽

Author(s):

Miguel González ◽

Jordi Hernando ◽

Judith Millán ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Ground Potential

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Test studies on the potential energy surface and rate constant for the OH+O3 atmospheric reaction

Chemical Physics Letters ◽

10.1016/s0009-2614(00)01222-7 ◽

2000 ◽

Vol 331 (5-6) ◽

pp. 474-482 ◽

Author(s):

A.J.C. Varandas ◽

L. Zhang

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Rate Constant ◽

Energy Surface ◽

Atmospheric Reaction

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