Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complex

Álvaro Valdés; Rita Prosmiti; Pablo Villarreal; Gerardo Delgado-Barrio

doi:10.1063/1.1833352

Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complex

The Journal of Chemical Physics ◽

10.1063/1.1833352 ◽

2005 ◽

Vol 122 (4) ◽

pp. 044305 ◽

Cited By ~ 33

Author(s):

Álvaro Valdés ◽

Rita Prosmiti ◽

Pablo Villarreal ◽

Gerardo Delgado-Barrio

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Van Der Waals ◽

Vibrational Dynamics ◽

Van Der Waals Complex ◽

Potential Representation

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Infrared spectra, relative stability, and ab initio calculations of the methyl-d3 chloride-hydrogen chloride van der Waals complex observed in liquefied argon

The Journal of Physical Chemistry ◽

10.1021/j100143a017 ◽

1993 ◽

Vol 97 (41) ◽

pp. 10622-10629 ◽

Cited By ~ 8

Author(s):

W. A. Herrebout ◽

B. J. van der Veken

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Hydrogen Chloride ◽

Infrared Spectra ◽

Relative Stability ◽

Van Der Waals ◽

Van Der Waals Complex

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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 ◽

Cited By ~ 8

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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Rotational Spectroscopy with ab initio Calculations of 2H, 3H-Perfluoropentane, its Isotopologues and the Argon-36 Cyclopentanone van der Waals Complex

10.14418/wes01.1.975 ◽

2013 ◽

Author(s):

Chinh H. Duong

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Van Der Waals ◽

Rotational Spectroscopy ◽

Van Der Waals Complex

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Study of the Xe–NH3 van der Waals complex: High-resolution microwave spectra and ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.2920195 ◽

2008 ◽

Vol 128 (20) ◽

pp. 204309 ◽

Cited By ~ 6

Author(s):

Qing Wen ◽

Wolfgang Jäger

Keyword(s):

High Resolution ◽

Ab Initio Calculations ◽

Ab Initio ◽

Van Der Waals ◽

Van Der Waals Complex ◽

Microwave Spectra

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Simulation of the charge transfer absorption of the H2O/O2 van der Waals complex using high level ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.471084 ◽

1996 ◽

Vol 104 (9) ◽

pp. 3198-3204 ◽

Cited By ~ 16

Author(s):

Ian J. Palmer ◽

William Byers Brown ◽

Ian H. Hillier

Keyword(s):

Charge Transfer ◽

Ab Initio Calculations ◽

Ab Initio ◽

Van Der Waals ◽

Van Der Waals Complex ◽

High Level

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Molecular structure of van der Waals complex of o - and m -methylaniline with CF 3 Cl, CF 3 H, CF 4 and CH 4 studied by laser induced fluorescence spectroscopy and ab initio calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(02)00045-5 ◽

2002 ◽

Vol 612 (1) ◽

pp. 13-28 ◽

Cited By ~ 11

Author(s):

B. Ballesteros ◽

L. Santos ◽

E. Martı́nez

Keyword(s):

Molecular Structure ◽

Fluorescence Spectroscopy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Van Der Waals ◽

Laser Induced Fluorescence ◽

Van Der Waals Complex

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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 ◽

Cited By ~ 3

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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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 ◽

Cited By ~ 1

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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An ab initio investigation of the potential energy surface of the benzene—neon van der Waals complex

Chemical Physics Letters ◽

10.1016/0009-2614(92)85548-o ◽

1992 ◽

Vol 195 (5-6) ◽

pp. 482-486 ◽

Cited By ~ 19

Author(s):

Th. Brupbacher ◽

H.P. Lüthi ◽

A. Bauder

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Van Der Waals ◽

Van Der Waals Complex

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Exploration of the NH3–H2 van der Waals interaction by high level ab initio calculations

Chemical Physics ◽

10.1016/j.chemphys.2008.03.004 ◽

2008 ◽

Vol 346 (1-3) ◽

pp. 237-246 ◽

Cited By ~ 8

Author(s):

Mirjana Mladenović ◽

Marius Lewerenz ◽

Geraldine Cilpa ◽

Pavel Rosmus ◽

Gilberte Chambaud

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Van Der Waals ◽

Van Der Waals Interaction ◽

High Level

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