High-level ab initio studies of NO(X2Π)–O2(X3Σg −) van der Waals complexes in quartet states

2018 ◽  
Vol 116 (9) ◽  
pp. 1251-1257 ◽  
Author(s):  
Friedrich Grein
Keyword(s):  
Ab Initio ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
High Level

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.

scholarly journals Exploration of the NH3–H2 van der Waals interaction by high level ab initio calculations

2008 ◽  
Vol 346 (1-3) ◽  
pp. 237-246 ◽  
Author(s):  
Mirjana Mladenović ◽  
Marius Lewerenz ◽  
Geraldine Cilpa ◽  
Pavel Rosmus ◽  
Gilberte Chambaud
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Van Der Waals ◽  
Van Der Waals Interaction ◽  
High Level

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
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