The water-oxygen dimer: First-principles calculation of an extrapolated potential energy surface and second virial coefficients

Richard J. Wheatley; Allan H. Harvey

doi:10.1063/1.2756524

The water-oxygen dimer: First-principles calculation of an extrapolated potential energy surface and second virial coefficients

The Journal of Chemical Physics ◽

10.1063/1.2756524 ◽

2007 ◽

Vol 127 (7) ◽

pp. 074303 ◽

Cited By ~ 15

Author(s):

Richard J. Wheatley ◽

Allan H. Harvey

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

First Principles ◽

Energy Surface ◽

Virial Coefficients ◽

First Principles Calculation ◽

Second Virial Coefficients ◽

Water Oxygen

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Intermolecular potential energy surface and second virial coefficients for the nonrigid water-CO dimer

The Journal of Chemical Physics ◽

10.1063/1.3244594 ◽

2009 ◽

Vol 131 (15) ◽

pp. 154305 ◽

Cited By ~ 16

Author(s):

Richard J. Wheatley ◽

Allan H. Harvey

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Virial Coefficients ◽

Intermolecular Potential ◽

Second Virial Coefficients

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First principles calculation of the potential energy surface for the lowest-quartet state of H3 and modelling by the double many-body expansion method

Physical Chemistry Chemical Physics ◽

10.1039/b000464m ◽

2000 ◽

Vol 2 (11) ◽

pp. 2471-2480 ◽

Cited By ~ 1

Author(s):

P. E. Abreu ◽

A. J. C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

First Principles ◽

Energy Surface ◽

Expansion Method ◽

First Principles Calculation ◽

Quartet State ◽

Many Body

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Intermolecular potential energy surface and second virial coefficients for the water–CO2 dimer

The Journal of Chemical Physics ◽

10.1063/1.3574345 ◽

2011 ◽

Vol 134 (13) ◽

pp. 134309 ◽

Cited By ~ 21

Author(s):

Richard J. Wheatley ◽

Allan H. Harvey

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Virial Coefficients ◽

Intermolecular Potential ◽

Second Virial Coefficients

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Potential energy surface for interactions between N2 and He: Ab initio calculations, analytic fits, and second virial coefficients

The Journal of Chemical Physics ◽

10.1063/1.471002 ◽

1996 ◽

Vol 104 (7) ◽

pp. 2541-2547 ◽

Cited By ~ 24

Author(s):

Ching‐Han Hu ◽

Ajit J. Thakkar

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Virial Coefficients ◽

Second Virial Coefficients

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Double Many-Body Expansion Potential Energy Surface for O4(3A), Dynamics of the O(3P) + O3(1A1) Reaction, and Second Virial Coefficients of Molecular Oxygen

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_4 ◽

1991 ◽

pp. 55-78 ◽

Cited By ~ 19

Author(s):

A. J. C. Varandas ◽

A. A. C. C. Pais

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Molecular Oxygen ◽

Energy Surface ◽

Virial Coefficients ◽

Many Body ◽

Second Virial Coefficients

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Theoretical study of quantum scattering cross-sections and second-virial coefficients of NH3–He using a recent potential energy surface

Chemical Physics ◽

10.1016/s0301-0104(02)01029-7 ◽

2003 ◽

Vol 288 (1) ◽

pp. 23-31 ◽

Cited By ~ 8

Author(s):

W.F. Wang

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Cross Sections ◽

Energy Surface ◽

Theoretical Study ◽

Virial Coefficients ◽

Quantum Scattering ◽

Second Virial Coefficients ◽

Scattering Cross ◽

Scattering Cross Sections

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Interaction second virial coefficients from a recent H2–CO potential energy surface

The Journal of Chemical Physics ◽

10.1063/1.480989 ◽

2000 ◽

Vol 112 (9) ◽

pp. 4417-4418 ◽

Cited By ~ 7

Author(s):

J. Gottfried ◽

George C. McBane

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Virial Coefficients ◽

Second Virial Coefficients

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The intermolecular potential energy surface for CO2–Ar: Fitting to high‐resolution spectroscopy of Van der Waals complexes and second virial coefficients

The Journal of Chemical Physics ◽

10.1063/1.472747 ◽

1996 ◽

Vol 105 (20) ◽

pp. 9130-9140 ◽

Cited By ~ 68

Author(s):

Jeremy M. Hutson ◽

Andreas Ernesti ◽

Mark M. Law ◽

Christine F. Roche ◽

Richard J. Wheatley

Keyword(s):

High Resolution ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Van Der Waals ◽

Virial Coefficients ◽

Van Der Waals Complexes ◽

High Resolution Spectroscopy ◽

Intermolecular Potential ◽

Second Virial Coefficients

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Ab initio Intermolecular Potential Energy Surface and Calculation of Second Virial Coefficients for the Cl2-Cl2Dimer

Smart Science ◽

10.1080/23080477.2015.11670491 ◽

2015 ◽

Vol 3 (4) ◽

pp. 193-201 ◽

Cited By ~ 4

Author(s):

Nguyen Thanh Duoc ◽

Nguyen Thi Ai Nhung ◽

Tran Duong ◽

Pham Van Tat

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Virial Coefficients ◽

Intermolecular Potential ◽

Second Virial Coefficients

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Ab initio study of the intermolecular potential energy surface for the ground electronic state of the O2–CO system and prediction of second virial coefficients

Theoretical Chemistry Accounts ◽

10.1007/s00214-017-2158-z ◽

2017 ◽

Vol 136 (10) ◽

Cited By ~ 1

Author(s):

Saeedeh Tashakor ◽

Mohammad R. Noorbala ◽

Mansoor Namazian

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Electronic State ◽

Energy Surface ◽

Virial Coefficients ◽

Ground Electronic State ◽

Intermolecular Potential ◽

Ab Initio Study ◽

Second Virial Coefficients

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