An analytic representation of the six‐dimensional potential energy surface of hydrogen fluoride dimer

Gene C. Hancock; Donald G. Truhlar; Clifford E. Dykstra

doi:10.1063/1.454102

An analytic representation of the six‐dimensional potential energy surface of hydrogen fluoride dimer

The Journal of Chemical Physics ◽

10.1063/1.454102 ◽

1988 ◽

Vol 88 (3) ◽

pp. 1786-1796 ◽

Cited By ~ 56

Author(s):

Gene C. Hancock ◽

Donald G. Truhlar ◽

Clifford E. Dykstra

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Hydrogen Fluoride ◽

Energy Surface ◽

Analytic Representation

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Multi-reference coupled-cluster study of the potential energy surface of the hydrogen fluoride dissociation including excited states

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.02.012 ◽

2009 ◽

Vol 902 (1-3) ◽

pp. 59-65 ◽

Cited By ~ 25

Author(s):

Anna Engels-Putzka ◽

Michael Hanrath

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Excited States ◽

Hydrogen Fluoride ◽

Energy Surface ◽

Coupled Cluster

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Potential energy surface of the electron excited states in the state-specific multi-reference coupled cluster theory. Hydrogen fluoride dissociation

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.04.043 ◽

2006 ◽

Vol 768 (1-3) ◽

pp. 97-101 ◽

Cited By ~ 14

Author(s):

Vladimir V. Ivanov ◽

Ludwik Adamowicz ◽

Dmitry I. Lyakh

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Excited States ◽

Hydrogen Fluoride ◽

Energy Surface ◽

The State ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Electron Excited States

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Potential energy surface for dispersion interaction in water dimer and hydrogen fluoride dimer

The Journal of Physical Chemistry ◽

10.1021/j100368a015 ◽

1990 ◽

Vol 94 (5) ◽

pp. 1781-1788 ◽

Cited By ~ 41

Author(s):

Malgorzata M. Szczesniak ◽

Robert J. Brenstein ◽

Slawomir M. Cybulski ◽

Steve. Scheiner

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Hydrogen Fluoride ◽

Energy Surface ◽

Water Dimer ◽

Dispersion Interaction

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The Absence of a Barrier in the Theoretical Potential Energy Surface for the Reaction of Hydride with Hydrogen Fluoride

Journal of the American Chemical Society ◽

10.1021/ja00957a046 ◽

1966 ◽

Vol 88 (5) ◽

pp. 1069-1070 ◽

Cited By ~ 13

Author(s):

Calvin D. Ritchie ◽

H. F. King

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Hydrogen Fluoride ◽

Energy Surface

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A curious artifact in the potential energy surface for the atomic fluorine + hydrogen fluoride abstraction reaction

Journal of the American Chemical Society ◽

10.1021/ja00068a051 ◽

1993 ◽

Vol 115 (15) ◽

pp. 6870-6876 ◽

Cited By ~ 4

Author(s):

Gary L. Fox ◽

H. B. Schlegel

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Hydrogen Fluoride ◽

Energy Surface ◽

Atomic Fluorine ◽

Abstraction Reaction

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An ab initio potential energy surface for the reaction between hydrogen fluoride and the hydride ion

Chemical Physics Letters ◽

10.1016/0009-2614(79)87180-8 ◽

1979 ◽

Vol 61 (3) ◽

pp. 597-600 ◽

Cited By ~ 1

Author(s):

R.D. Amos

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Hydrogen Fluoride ◽

Energy Surface ◽

Hydride Ion

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Quantum mechanical calculations on the systems hydrogen fluoride(v) + atomic hydrogen and hydrogen fluoride(v) + atomic deuterium on a realistic potential energy surface

The Journal of Physical Chemistry ◽

10.1021/j100334a024 ◽

1988 ◽

Vol 92 (23) ◽

pp. 6595-6601

Author(s):

Jack A. Kaye ◽

Aron Kuppermann ◽

John P. Dwyer

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Hydrogen Fluoride ◽

Atomic Hydrogen ◽

Energy Surface ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Realistic 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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