Theoretical Study of the Potential Energy Surfaces of the Van Der Waals H2O−X2+(X = Cl or Br) Complexes

2008 ◽  
Vol 112 (4) ◽  
pp. 722-727
Author(s):  
Tahra Ayed ◽  
Ramón Hernández Lamoneda ◽  
Kenneth C. Janda
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Theoretical Study ◽  
Van Der Waals ◽  
Energy Surfaces

Potential energy surfaces and dynamics of He n Br2 van der Waals complexes

2007 ◽  
pp. 193-202
Author(s):  
Gerardo Delgado-Barrio ◽  
David López-Durán ◽  
álvaro Valdés ◽  
Rita Prosmiti ◽  
Maria Pilar De Lara-Castells ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Energy Surfaces

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.

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