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

Miquel Gilibert; Antonio Aguilar; Miguel González; Fernando Mota; R. Sayós

doi:10.1063/1.463787

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 ◽

Cited By ~ 45

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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Quasiclassical trajectory calculations of hydrogen absorption in the (NaAlH4)2Ti system on a model analytical potential energy surface

Physical Chemistry Chemical Physics ◽

10.1039/c2cp23689c ◽

2012 ◽

Vol 14 (11) ◽

pp. 3915 ◽

Cited By ~ 2

Author(s):

Ivan Ljubić ◽

David C. Clary

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Hydrogen Absorption ◽

Energy Surface ◽

Trajectory Calculations ◽

Analytical 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 ◽

Cited By ~ 20

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 ◽

Cited By ~ 22

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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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 ◽

Cited By ~ 2

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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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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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 ◽

Cited By ~ 21

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 ◽

Cited By ~ 44

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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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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Scattering study of the Ne + NeH+(v0 = 0, j0 = 0) → NeH+ + Ne reaction on an ab initio based analytical potential energy surface

The Journal of Chemical Physics ◽

10.1063/1.4939952 ◽

2016 ◽

Vol 144 (3) ◽

pp. 034303 ◽

Cited By ~ 13

Author(s):

Debasish Koner ◽

Lizandra Barrios ◽

Tomás González-Lezana ◽

Aditya N. Panda

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Analytical Potential ◽

Scattering Study

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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 ◽

Cited By ~ 12

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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