The helium–, neon–, and argon–cyclopropane van der Waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics

2001 ◽  
Vol 115 (18) ◽  
pp. 8431-8439 ◽  
Author(s):  
Thomas Bondo Pedersen ◽  
Berta Fernández ◽  
Henrik Koch ◽  
Jan Makarewicz
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Intermolecular Potential ◽  
Energy Surfaces ◽  
Helium Neon

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.

Accurate ground-state potential energy surfaces of the C2H2–Kr and C2H2–Xe van der Waals complexes

2012 ◽  
Vol 110 (21-22) ◽  
pp. 2751-2760 ◽  
Author(s):  
C. Lauzin ◽  
E. Cauët ◽  
J. Demaison ◽  
M. Herman ◽  
H. Stoll ◽  
...  
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
State Potential ◽  
Energy Surfaces
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