A potential energy surface for the process H2+H2O→H+H+H2O :Abinitiocalculations and analytical representation

David W. Schwenke; Stephen P. Walch; Peter R. Taylor

doi:10.1063/1.459822

A potential energy surface for the process H2+H2O→H+H+H2O :Abinitiocalculations and analytical representation

The Journal of Chemical Physics ◽

10.1063/1.459822 ◽

1991 ◽

Vol 94 (4) ◽

pp. 2986-2999 ◽

Cited By ~ 12

Author(s):

David W. Schwenke ◽

Stephen P. Walch ◽

Peter R. Taylor

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Analytical Representation

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A Global Analytical Representation of the Potential Energy Surface of the FHF– Anion

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b05325 ◽

2016 ◽

Vol 120 (30) ◽

pp. 5959-5968 ◽

Cited By ~ 5

Author(s):

Yann Cornaton ◽

Roberto Marquardt

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Analytical Representation

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A new global and compact analytical representation of the potential energy surface of triatomic systems: application to copper nitrosyl and water

Molecular Physics ◽

10.1080/00268976.2013.800605 ◽

2013 ◽

Vol 111 (14-15) ◽

pp. 2263-2282 ◽

Cited By ~ 4

Author(s):

Yann Cornaton ◽

B. Murali Krishna ◽

Roberto Marquardt

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Analytical Representation

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Intermolecular Potential Energy Surface of the N2−CO Dimer: Ab Initio Investigation and Analytical Representation

The Journal of Physical Chemistry A ◽

10.1021/jp111279t ◽

2011 ◽

Vol 115 (6) ◽

pp. 1143-1151 ◽

Cited By ~ 7

Author(s):

M. H. Karimi-Jafari ◽

A. Maghari ◽

A. Farjamnia

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Analytical Representation ◽

Intermolecular Potential

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An analytical representation of the lowest potential energy surface for the reaction O(3P)+HCl (X 1Σ+)→OH(X 2Π)+Cl(2P)

The Journal of Chemical Physics ◽

10.1063/1.461562 ◽

1991 ◽

Vol 95 (9) ◽

pp. 6421-6428 ◽

Cited By ~ 63

Author(s):

H. Koizumi ◽

George. C. Schatz ◽

Mark S. Gordon

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Analytical Representation

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An ab initio derived torsional potential energy surface for (H2O)3. I. Analytical representation and stationary points

The Journal of Chemical Physics ◽

10.1063/1.469818 ◽

1995 ◽

Vol 103 (3) ◽

pp. 1077-1084 ◽

Cited By ~ 48

Author(s):

Thomas Bürgi ◽

Stephan Graf ◽

Samuel Leutwyler ◽

Wim Klopper

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Analytical Representation ◽

Stationary Points ◽

Torsional Potential

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Coping with the anisotropy in the analytical representation of an ab initio potential energy surface for the Cl2 dimer

Physical Chemistry Chemical Physics ◽

10.1039/b900847k ◽

2009 ◽

Vol 11 (27) ◽

pp. 5561 ◽

Cited By ~ 9

Author(s):

M. H. Karimi-Jafari ◽

Mitra Ashouri ◽

Azadeh Yeganeh-Jabri

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Analytical Representation

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An analytical representation of the ground potential energy surface (2A′) of the H+Cl2→HCl+Cl and Cl+HCl→HCl+Cl reactions, based on ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.475713 ◽

1998 ◽

Vol 108 (8) ◽

pp. 3168-3177 ◽

Cited By ~ 13

Author(s):

Miguel González ◽

J. Hijazo ◽

J. J. Novoa ◽

R. Sayós

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Analytical Representation ◽

Ground Potential

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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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