Molecular complexes with interacting van der Waals and ionic excited states. 1. Calculations of potential energy surfaces

1989 ◽  
Vol 93 (10) ◽  
pp. 3941-3948 ◽  
Author(s):  
M. Castella ◽  
P. Millie ◽  
F. Piuzzi ◽  
J. Caillet ◽  
J. Langlet ◽  
...  
Keyword(s):  
Potential Energy ◽  
Excited States ◽  
Potential Energy Surfaces ◽  
Van Der Waals ◽  
Molecular Complexes ◽  
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.

Symmetry-adapted perturbation theory of potential-energy surfaces for weakly bound molecular complexes

1994 ◽  
Vol 307 ◽  
pp. 135-151 ◽  
Author(s):  
Tatiana Cwiok ◽  
Bogumil Jeziorski ◽  
Wlodzimierz Kolos ◽  
Robert Moszynski ◽  
Krzysztof Szalewicz
Keyword(s):  
Perturbation Theory ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Molecular Complexes ◽  
Weakly Bound ◽  
Energy Surfaces
Sign in / Sign up

Export Citation Format

Share Document