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

Yukio Yamaguchi; Steven S. Wesolowski; Timothy J. Van Huis; Henry F. Schaefer

doi:10.1063/1.476315

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

The Journal of Chemical Physics ◽

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 ◽

Potential Energy Surface ◽

Energy Surface ◽

Unimolecular Dissociation

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

The Journal of Chemical Physics ◽

10.1063/1.1523058 ◽

2002 ◽

Vol 117 (24) ◽

pp. 11131-11138 ◽

Cited By ~ 25

Author(s):

Takehiro Yonehara ◽

Shigeki Kato

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Trajectory Analysis ◽

Energy Surface ◽

Classical Trajectory ◽

Unimolecular Dissociation ◽

Dissociation Reaction

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Potential energy surface for unimolecular dissociation and rearrangement reactions of the ground electronic state of HFCO

The Journal of Chemical Physics ◽

10.1063/1.460213 ◽

1991 ◽

Vol 94 (11) ◽

pp. 7287-7298 ◽

Cited By ~ 33

Author(s):

Kenshu Kamiya ◽

Keiji Morokuma

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Electronic State ◽

Energy Surface ◽

Ground Electronic State ◽

Unimolecular Dissociation ◽

Rearrangement Reactions

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Unimolecular dissociation of NO2. I. Classical trajectory and statistical calculations on a global potential energy surface

The Journal of Chemical Physics ◽

10.1063/1.479342 ◽

1999 ◽

Vol 111 (2) ◽

pp. 619-632 ◽

Cited By ~ 28

Author(s):

S. Yu. Grebenshchikov ◽

C. Beck ◽

H. Flöthman ◽

R. Schinke ◽

S. Kato

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Classical Trajectory ◽

Unimolecular Dissociation

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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†

The Journal of Physical Chemistry A ◽

10.1021/jp001125t ◽

2000 ◽

Vol 104 (45) ◽

pp. 10482-10488 ◽

Cited By ~ 2

Author(s):

Seong Hwi Cho ◽

Won-Hwa Park ◽

Sang Kyu Kim ◽

Young S. Choi

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Vinyl Chloride ◽

Energy Surface ◽

Unimolecular Dissociation ◽

Product State ◽

Dissociation Dynamics ◽

Ground Potential

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Kinetic study for the unimolecular dissociation of CF3H: RRKM and PST calculations on an ab initio potential energy surface

Chemical Physics Letters ◽

10.1016/0009-2614(96)00691-4 ◽

1996 ◽

Vol 258 (5-6) ◽

pp. 613-619 ◽

Cited By ~ 6

Author(s):

Dong Nam Shin ◽

Yong Sim Yoo ◽

Chul Woong Park ◽

Jae Won Hahn ◽

Kihyung Song

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Kinetic Study ◽

Energy Surface ◽

Unimolecular Dissociation

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An accurate, global, ab initio potential energy surface for the H + 3 molecule

Molecular Physics ◽

10.1080/002689700162540 ◽

2000 ◽

Vol 98 (5) ◽

pp. 261-273 ◽

Cited By ~ 10

Author(s):

Oleg L. Polyansky, Rita Prosmiti, Wim Kl

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface

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HIGH-ACCURATE INTERMOLECULAR POTENTIAL ENERGY SURFACE OF HCN−H2 COMPLEX WITH INTRAMOLECULAR VIBRATIONAL MODE OF HCN INCLUDED

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.wa08 ◽

2016 ◽

Author(s):

Yu Zhai ◽

Hui Li

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Vibrational Mode ◽

Intermolecular Potential

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AB INITIO EXPLORATION OF THE POTENTIAL ENERGY SURFACE OF THE O2-SO2 OPEN-SHELL COMPLEX.

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.tk12 ◽

2016 ◽

Author(s):

Wafaa Fawzy ◽

Jon Hougen

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Open Shell

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THE ORIGINS OF INTRA- AND INTER-MOLECULAR VIBRATIONAL COUPLINGS: A CASE STUDY OF H2O−Ar ON FULL AND REDUCED-DIMENSIONAL POTENTIAL ENERGY SURFACE

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.wf13 ◽

2016 ◽

Author(s):

Hui Li ◽

Xiao-Long Zhang ◽

Yong-Tao Ma ◽

Dan Hou

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface

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HIGH ACCURACY POTENTIAL ENERGY SURFACE, DIPOLE MOMENT SURFACE, ROVIBRATIONAL ENERGIES AND LINE LIST CALCULATIONS FOR 14NH3

Proceedings of the 72nd International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2017.tj06 ◽

2017 ◽

Author(s):

Phillip Coles ◽

Jonathan Tennyson ◽

Nikolay Zobov ◽

Roman Ovsyannikov ◽

Aleksandra Kyuberis ◽

...

Keyword(s):

Dipole Moment ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

High Accuracy ◽

Line List ◽

Surface Dipole ◽

Rovibrational Energies

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