scholarly journals Bound States of the Cl(2P)−HCl van der Waals Complex from Coupled ab Initio Potential Energy Surfaces

2004 ◽  
Vol 108 (42) ◽  
pp. 9319-9322 ◽  
Author(s):  
W. B. Zeimen ◽  
J. Kłos ◽  
G. C. Groenenboom ◽  
A. van der Avoird
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Bound States ◽  
Van Der Waals ◽  
Van Der Waals Complex ◽  
Energy Surfaces

Bound States of the Cl(2P)−HCl van der Waals Complex from Coupled ab Initio Potential Energy Surfaces

2003 ◽  
Vol 107 (25) ◽  
pp. 5110-5121 ◽  
Author(s):  
W. B. Zeimen ◽  
J. Kłos ◽  
G. C. Groenenboom ◽  
A. van der Avoird
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Bound States ◽  
Van Der Waals ◽  
Van Der Waals Complex ◽  
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.

Picosecond dynamics observed on weakly attractive potential energy surfaces. Dissociation dynamics and vibrational recurrences of the mercury-argon van der Waals complex

1992 ◽  
Vol 200 (3) ◽  
pp. 267-273 ◽  
Author(s):  
L. Krim ◽  
P. Qiu ◽  
C. Jouvet ◽  
C. Lardeux-Dedonder ◽  
J.G. McCaffrey ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Van Der Waals ◽  
Attractive Potential ◽  
Van Der Waals Complex ◽  
Dissociation Dynamics ◽  
Energy Surfaces
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