Ab initio studies on the NO(X2II) − O2(X3 Σg−) van der Waals complexes in the doublet state

2019 ◽  
Vol 118 (3) ◽  
pp. e1606463
Author(s):  
Friedrich Grein
Keyword(s):  
Ab Initio ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Doublet State

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.

Ab initio study of Rg–N2 and Rg–C2 van der Waals complexes (Rg=He, Ne, Ar)

2003 ◽  
Vol 119 (2) ◽  
pp. 909-920 ◽  
Author(s):  
Ketan Patel ◽  
Peter R. Butler ◽  
Andrew M. Ellis ◽  
Martyn D. Wheeler
Keyword(s):  
Ab Initio ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Ab Initio Study

Formation of van der Waals complexes between allene and HCl in cryosolutions. An IR and ab initio study

1999 ◽  
Vol 1 (2) ◽  
pp. 231-238 ◽  
Author(s):  
Gert P. Everaert ◽  
Wouter A. Herrebout ◽  
Benjamin J. van der Veken
Keyword(s):  
Ab Initio ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Ab Initio Study

scholarly journals Rovibrational spectra of ArH2 and ArD2 van der Waals complexes from an ab initio SAPT potential

1994 ◽  
Vol 221 (1-2) ◽  
pp. 161-166 ◽  
Author(s):  
R. Moszynski ◽  
B. Jeziorski ◽  
P.E.S. Wormer ◽  
A. van der Avoird
Keyword(s):  
Ab Initio ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Rovibrational Spectra
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