Inclusion of ion-pair states in the diatomics-in-molecules description of potential energy surfaces: van der Waals complexes of HeCl2 and ArCl2

Accurate ab initio calculations provide the reliable information needed to study the potential energy surfaces that control the non-covalent interactions (NCIs) responsible for the formation of weak van der Waals complexes.

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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 ◽

Cited By ~ 75

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 ◽

Helium Neon

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Effect of the substituent on the potential energy surfaces and vibrational mode structure in the monosubstituted benzene-argon van der Waals complexes

Chemical Physics ◽

10.1016/0301-0104(90)90017-4 ◽

1990 ◽

Vol 146 (1-2) ◽

pp. 195-205 ◽

Cited By ~ 37

Author(s):

Michel Mons ◽

Jacques Le Calvé

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Vibrational Mode ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Mode Structure ◽

Monosubstituted Benzene ◽

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 ◽

Cited By ~ 5

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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Ab initiointermolecular potential energy surfaces for the Ar–NCCN van der Waals complexes

Molecular Physics ◽

10.1080/00268976.2014.918284 ◽

2014 ◽

Vol 112 (22) ◽

pp. 2924-2932 ◽

Cited By ~ 5

Author(s):

Mohammad Solimannejad ◽

Hamidreza Jouypazadeh ◽

Hossein Farrokhpour

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Energy Surfaces

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Spectroscopic properties and potential-energy surfaces for T-shaped van der Waals complexes. Part 1.—Theory

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29878300173 ◽

1987 ◽

Vol 83 (1) ◽

pp. 173-190 ◽

Cited By ~ 19

Author(s):

Adrian M. Hough ◽

Brian J. Howard

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Spectroscopic Properties ◽

Van Der Waals Complexes ◽

Energy Surfaces

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ChemInform Abstract: Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes.

ChemInform ◽

10.1002/chin.199507346 ◽

2010 ◽

Vol 26 (7) ◽

pp. no-no ◽

Cited By ~ 1

Author(s):

B. JEZIORSKI ◽

R. MOSZYNSKI ◽

K. SZALEWICZ

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Intermolecular Potential ◽

Theory Approach ◽

Energy Surfaces

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Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

Chemical Reviews ◽

10.1021/cr00031a008 ◽

1994 ◽

Vol 94 (7) ◽

pp. 1887-1930 ◽

Cited By ~ 1738

Author(s):

Bogumil Jeziorski ◽

Robert Moszynski ◽

Krzysztof Szalewicz

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Intermolecular Potential ◽

Theory Approach ◽

Energy Surfaces

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Topography of potential-energy surfaces for Van der Waals complexes

Faraday Discussions ◽

10.1039/fd9949700243 ◽

1994 ◽

Vol 97 ◽

pp. 243 ◽

Cited By ~ 43

Author(s):

Paul L. A. Popelier ◽

Anthony J. Stone ◽

David J. Wales

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Energy Surfaces

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