Accurate ab Initio Structural Parameters of the Diatomic and Triatomic van der Waals Molecules 11BNg (X2Π, A2Σ+) and 11BNg2 (X̃2B1), Ng = 4He, 20Ne, 40Ar, 84Kr, and 132Xe

2014 ◽  
Vol 118 (22) ◽  
pp. 3990-3995 ◽  
Author(s):  
Ilias Magoulas ◽  
Aristotle Papakondylis ◽  
Aristides Mavridis
Keyword(s):  
Ab Initio ◽  
Structural Parameters ◽  
Van Der Waals ◽  
Van Der Waals Molecules

Intermolecular forces and the properties of interacting molecules

1985 ◽  
Vol 63 (1) ◽  
pp. 30-33 ◽  
Author(s):  
A. D. Buckingham
Keyword(s):  
Hydrogen Bond ◽  
Ab Initio ◽  
Long Range ◽  
Van Der Waals ◽  
Intermolecular Forces ◽  
Electrostatic Forces ◽  
Van Der Waals Molecules ◽  
Range Theory ◽  
Ab Initio Computations ◽  
Isolated Molecules

Intermolecular forces, and their effects on the properties of gases, liquids, and solids, are related, by long-range theory, to the properties of the isolated molecules. The usefulness of this approach is expounded, and its limitations investigated by means of ab initio computations. It is suggested that the structures of many Van der Waals molecules, and particularly those with a hydrogen bond, are attributable to electrostatic forces.

scholarly journals Ab initio studies of the interactions in Van der Waals molecules

1980 ◽  
pp. 1-51 ◽  
Author(s):  
Ad Avoird ◽  
Paul E. S. Wormer ◽  
Fred Mulder ◽  
Rut M. Berns
Keyword(s):  
Ab Initio ◽  
Van Der Waals ◽  
Van Der Waals Molecules
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