Ab initio intermolecular potential energy surfaces of the Kr–CS2 and Xe–CS2 complexes

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2015.07.025 ◽

2015 ◽

Vol 1070 ◽

pp. 88-93 ◽

Author(s):

Ting Yuan ◽

Mingli Yang ◽

Hua Zhu

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Intermolecular Potential ◽

Energy Surfaces

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Intermolecular potential energy surfaces and spectra of Ne–HCN complex from ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.1331101 ◽

2001 ◽

Vol 114 (2) ◽

pp. 764 ◽

Author(s):

Garold Murdachaew ◽

Alston J. Misquitta ◽

Robert Bukowski ◽

Krzysztof Szalewicz

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Intermolecular Potential ◽

Energy Surfaces

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The helium–, neon–, and argon–cyclopropane van der Waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics

The Journal of Chemical Physics ◽

10.1063/1.1398102 ◽

2001 ◽

Vol 115 (18) ◽

pp. 8431-8439 ◽

Author(s):

Thomas Bondo Pedersen ◽

Berta Fernández ◽

Henrik Koch ◽

Jan Makarewicz

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Intermolecular Potential ◽

Energy Surfaces ◽

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Investigations of the Rg-BrCl (Rg = He, Ne, Ar, Kr, Xe) binary van der Waals complexes: ab initio intermolecular potential energy surfaces, vibrational states and predicted pure rotational transition frequencies

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2016.11.020 ◽

2017 ◽

Vol 174 ◽

pp. 105-117 ◽

Author(s):

Song Li ◽

Rui Zheng ◽

Shan-Jun Chen ◽

Yan Chen ◽

Peng Chen

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Rotational Transition ◽

Van Der Waals Complexes ◽

Intermolecular Potential ◽

Vibrational States ◽

Energy Surfaces

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Calculation of thermodynamic properties of vapor–liquid equilibria using ab initio intermolecular potential energy surfaces for dimer O2–O2

Molecular Physics ◽

10.1080/00268976.2020.1736673 ◽

2020 ◽

Vol 118 (16) ◽

pp. e1736673

Author(s):

Nguyen Thi Ai Nhung ◽

Pham Van Tat

Keyword(s):

Thermodynamic Properties ◽

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Intermolecular Potential ◽

Vapor Liquid Equilibria ◽

Energy Surfaces ◽

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Calculation of cross second virial coefficients using ab initio intermolecular potential energy surfaces for dimer H2-N2

Chemical Physics ◽

10.1016/j.chemphys.2018.10.016 ◽

2019 ◽

Vol 517 ◽

pp. 208-221 ◽

Author(s):

Pham Van Tat ◽

Ulrich K. Deiters

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Virial Coefficients ◽

Intermolecular Potential ◽

Second Virial Coefficients ◽

Energy Surfaces

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The excited-states intermolecular potential energy surfaces of the Ar–CS2 van der Waals complex: Ab initio study

Chemical Physics ◽

10.1016/j.chemphys.2014.05.021 ◽

2014 ◽

Vol 440 ◽

pp. 8-17 ◽

Author(s):

H. Farrokhpour ◽

M. Tozihi

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Intermolecular Potential ◽

Ab Initio Study ◽

Van Der Waals Complex ◽

Energy Surfaces

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Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes

The Journal of Chemical Physics ◽

10.1063/1.3009270 ◽

2008 ◽

Vol 129 (18) ◽

pp. 184310 ◽

Author(s):

Jan Makarewicz

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Intermolecular Potential ◽

Rare Gas ◽

Energy Surfaces

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Ab Initio Intermolecular Potential Energy Surfaces and Cross Second Virial Coefficients for the Dimer N2-NO

ACS Omega ◽

10.1021/acsomega.0c01540 ◽

2020 ◽

Vol 5 (21) ◽

pp. 12539-12549

Author(s):

Pham Van Tat ◽

Tran Thai Hoa

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Virial Coefficients ◽

Intermolecular Potential ◽

Second Virial Coefficients ◽

Energy Surfaces

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Ab Initio Ground- and Excited-State Intermolecular Potential Energy Surfaces for the NO–Ne and NO–Ar van der Waals Complexes

The Journal of Physical Chemistry A ◽

10.1021/jp303573a ◽

2012 ◽

Vol 116 (27) ◽

pp. 7319-7328 ◽

Author(s):

Hubert Cybulski ◽

Berta Fernández

Keyword(s):

Excited State ◽

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Intermolecular Potential ◽

Energy Surfaces

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Ab initio intermolecular potential energy surfaces of He–CS2, Ne–CS2 and Ar–CS2 complexes

Molecular Physics ◽

10.1080/00268976.2012.745630 ◽

2012 ◽

Vol 111 (6) ◽

pp. 779-791 ◽

Author(s):

H. Farrokhpour ◽

M. Tozihi

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Intermolecular Potential ◽

Energy Surfaces

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