Ab initio intermolecular potential energy surface and second pressure virial coefficients of methane

Robert Hellmann; Eckard Bich; Eckhard Vogel

doi:10.1063/1.2932103

Ab initio intermolecular potential energy surface and second pressure virial coefficients of methane

The Journal of Chemical Physics ◽

10.1063/1.2932103 ◽

2008 ◽

Vol 128 (21) ◽

pp. 214303 ◽

Cited By ~ 48

Author(s):

Robert Hellmann ◽

Eckard Bich ◽

Eckhard Vogel

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Virial Coefficients ◽

Intermolecular Potential

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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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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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Intermolecular potential energy surface of the proton-bound H2O+–He dimer: Ab initio calculations and IR spectra of the O–H stretch vibrations

Physical Chemistry Chemical Physics ◽

10.1039/b101384j ◽

2001 ◽

Vol 3 (12) ◽

pp. 2400-2410 ◽

Cited By ~ 25

Author(s):

Doris Roth ◽

Otto Dopfer ◽

John P. Maier

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Intermolecular Potential

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A full-dimensional ab initio intermolecular potential energy surface and rovibrational spectra for OC–HF and OC–DF

The Journal of Chemical Physics ◽

10.1063/5.0061291 ◽

2021 ◽

Vol 155 (8) ◽

pp. 084302

Author(s):

Qiong Liu ◽

Lu Liu ◽

Feng An ◽

Jing Huang ◽

Yanzi Zhou ◽

...

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Intermolecular Potential ◽

Rovibrational Spectra

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Ab initio calculation of the intermolecular potential energy surface of (CO2)2 and first applications in simulations of fluid CO2

Chemical Physics ◽

10.1016/s0301-0104(96)00282-0 ◽

1996 ◽

Vol 213 (1-3) ◽

pp. 253-261 ◽

Cited By ~ 31

Author(s):

Marc Welker ◽

Gerold Steinebrunner ◽

Jan Solca ◽

Hanspeter Huber

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Ab Initio Calculation ◽

Energy Surface ◽

Intermolecular Potential

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Intermolecular potential energy surface and rovibrational spectra of the He–N2O complex from ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.1697390 ◽

2004 ◽

Vol 120 (18) ◽

pp. 8575-8581 ◽

Cited By ~ 30

Author(s):

Yanzi Zhou ◽

Daiqian Xie

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Intermolecular Potential ◽

Rovibrational Spectra

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F2 dimer: Improved intermolecular potential energy surface using ab initio calculations

International Journal of Quantum Chemistry ◽

10.1002/qua.25216 ◽

2016 ◽

Vol 116 (20) ◽

pp. 1477-1485 ◽

Cited By ~ 3

Author(s):

Saeedeh Tashakor ◽

Mohammad R. Noorbala ◽

Mansoor Namazian

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Intermolecular Potential

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Ab initio intermolecular potential energy surface, bound states, and microwave spectra for the van der Waals complex Ne–HCCCN

The Journal of Chemical Physics ◽

10.1063/1.1888567 ◽

2005 ◽

Vol 122 (17) ◽

pp. 174312 ◽

Cited By ~ 2

Author(s):

Yanzi Zhou ◽

Daiqian Xie

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Bound States ◽

Energy Surface ◽

Van Der Waals ◽

Intermolecular Potential ◽

Van Der Waals Complex ◽

Microwave Spectra

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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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