Accurate intermolecular ground-state potential-energy surfaces of the HCCH–He, Ne, and Ar van der Waals complexes

2005 ◽  
Vol 123 (1) ◽  
pp. 014309 ◽  
Author(s):  
Cristian Robert Munteanu ◽  
Berta Fernández
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
State Potential ◽  
Energy Surfaces

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

Global fits of new intermolecular ground state potential energy surfaces for N2–H2 and N2–N2 van der Waals dimers

2007 ◽  
Vol 445 (4-6) ◽  
pp. 99-107 ◽  
Author(s):  
L. Gomez ◽  
B. Bussery-Honvault ◽  
T. Cauchy ◽  
M. Bartolomei ◽  
D. Cappelletti ◽  
...  
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
Van Der Waals ◽  
State Potential ◽  
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.

Triplet and ground state potential energy surfaces of 1,4-diphenyl-1,3-butadiene: theory and experiment

2008 ◽  
Vol 7 (5) ◽  
pp. 566 ◽  
Author(s):  
J. Saltiel ◽  
O. Dmitrenko ◽  
Z. S. Pillai ◽  
R. Klima ◽  
S. Wang ◽  
...  
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
State Potential ◽  
Energy Surfaces ◽  
Theory And Experiment
Sign in / Sign up

Export Citation Format

Share Document