Ab Initio and Cryospectroscopic Investigation of the Van der Waals Complexes of Methylcyclopropane with Hydrogen Chloride and Boron Trifluoride

2001 ◽  
Vol 105 (39) ◽  
pp. 9058-9067 ◽  
Author(s):  
Gert P. Everaert ◽  
Wouter A. Herrebout ◽  
Benjamin J. van der Veken
Keyword(s):  
Ab Initio ◽  
Hydrogen Chloride ◽  
Boron Trifluoride ◽  
Van Der Waals ◽  
Van Der Waals Complexes

Non-covalent interactions and their impact on the complexation thermodynamics of noble gases with methanol

2020 ◽  
Vol 22 (30) ◽  
pp. 17171-17180 ◽  
Author(s):  
Lúcio Renan Vieira ◽  
Sandro Francisco de Brito ◽  
Mateus Rodrigues Barbosa ◽  
Thiago Oliveira Lopes ◽  
Daniel Francisco Scalabrini Machado ◽  
...  
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Noble Gases ◽  
Van Der Waals ◽  
Reliable Information ◽  
Van Der Waals Complexes ◽  
Non Covalent Interactions ◽  
Energy Surfaces ◽  
Covalent Interactions

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.

Methylenecyclopropane−Boron Trifluoride van der Waals Complexes; an Infrared and DFT Study

2000 ◽  
Vol 104 (37) ◽  
pp. 8480-8488 ◽  
Author(s):  
Wouter A. Herrebout ◽  
Roman Szostak ◽  
Benjamin J. van der Veken
Keyword(s):  
Boron Trifluoride ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Dft Study

Ab initio study of Rg–N2 and Rg–C2 van der Waals complexes (Rg=He, Ne, Ar)

2003 ◽  
Vol 119 (2) ◽  
pp. 909-920 ◽  
Author(s):  
Ketan Patel ◽  
Peter R. Butler ◽  
Andrew M. Ellis ◽  
Martyn D. Wheeler
Keyword(s):  
Ab Initio ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Ab Initio Study
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