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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Is the Ar-Br2(X1Sigma+g van der Waals complex linear rather than T-shaped? A study in terms of ab initio based potential energy surfaces

Molecular Physics ◽

10.1080/002689799164874 ◽

1999 ◽

Vol 96 (7) ◽

pp. 1043-1049 ◽

Author(s):

F. Y. NAUMKIN

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complex ◽

Complex Linear ◽

Energy Surfaces

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Ab initio calculations and modeling of three-dimensional adiabatic and diabatic potential energy surfaces of F(2P)···H2(1Σ+) Van der Waals complex

International Journal of Quantum Chemistry ◽

10.1002/qua.10328 ◽

2002 ◽

Vol 90 (3) ◽

pp. 1038-1048 ◽

Author(s):

Jacek Kłos ◽

Grzegorz Chałasiński ◽

M. M. Szczȩśniak

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Three Dimensional ◽

Van Der Waals Complex ◽

Energy Surfaces

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Ab initio-based potential energy surfaces and predicted microwave spectra of the Ar–I2(X1Σg+) Van der Waals complex

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00806-9 ◽

1998 ◽

Vol 294 (1-3) ◽

pp. 71-78 ◽

Author(s):

F.Y. Naumkin ◽

F.R.W. McCourt

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complex ◽

Microwave Spectra ◽

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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Bound States of the Cl(2P)−HCl van der Waals Complex from Coupled ab Initio Potential Energy Surfaces

The Journal of Physical Chemistry A ◽

10.1021/jp046260a ◽

2004 ◽

Vol 108 (42) ◽

pp. 9319-9322 ◽

Author(s):

W. B. Zeimen ◽

J. Kłos ◽

G. C. Groenenboom ◽

A. van der Avoird

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Bound States ◽

Van Der Waals ◽

Van Der Waals Complex ◽

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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Bound States of the Cl(2P)−HCl van der Waals Complex from Coupled ab Initio Potential Energy Surfaces

The Journal of Physical Chemistry A ◽

10.1021/jp034475z ◽

2003 ◽

Vol 107 (25) ◽

pp. 5110-5121 ◽

Author(s):

W. B. Zeimen ◽

J. Kłos ◽

G. C. Groenenboom ◽

A. van der Avoird

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Bound States ◽

Van Der Waals ◽

Van Der Waals Complex ◽

Energy Surfaces

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A study of the ArCl2 Van der Waals complex: Ab initio-based potential energy surfaces, the relative stability of conformers, and the “hidden” microwave spectrum

The Journal of Chemical Physics ◽

10.1063/1.474260 ◽

1997 ◽

Vol 107 (15) ◽

pp. 5702-5713 ◽

Author(s):

F. Y. Naumkin ◽

F. R. W. McCourt

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Relative Stability ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Microwave Spectrum ◽

Van Der Waals Complex ◽

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 calculations and modeling of diabatic potential energy surfaces for the Van der Waals complex Cl(2P)⋯CH4(X1A1)

Chemical Physics Letters ◽

10.1016/s0009-2614(02)00718-2 ◽

2002 ◽

Vol 359 (3-4) ◽

pp. 309-313 ◽

Author(s):

Jacek Kłos

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complex ◽

Energy Surfaces

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