Ab initio study of the O3–N2 complex: Potential energy surface and rovibrational states

2021 ◽  
Vol 155 (5) ◽  
pp. 054308
Author(s):  
Yulia N. Kalugina ◽  
Oleg Egorov ◽  
Ad van der Avoird
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Complex Potential ◽  
Energy Surface ◽  
Ab Initio Study ◽  
Rovibrational States

Electron Affinity of Hydrogen Peroxide and the [H2,O2]•-Potential Energy Surface. A Comparative DFT and ab Initio Study

1996 ◽  
Vol 100 (1) ◽  
pp. 100-110 ◽  
Author(s):  
Jan Hrušák ◽  
Heike Friedrichs ◽  
Helmut Schwarz ◽  
Holy Razafinjanahary ◽  
Henry Chermette
Keyword(s):  
Hydrogen Peroxide ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Electron Affinity ◽  
Energy Surface ◽  
Ab Initio Study

An ab initio study of the potential energy surface of methylamine dimer

2002 ◽  
Vol 586 (1-3) ◽  
pp. 225-234 ◽  
Author(s):  
Enrique M Cabaleiro-Lago ◽  
Jesús Rodrı́guez-Otero
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Ab Initio Study

Ab initio potential-energy surface for the He(1S)+NO(X 2Π) interaction and bound rovibrational states

2000 ◽  
Vol 112 (5) ◽  
pp. 2195-2203 ◽  
Author(s):  
Jacek Kl/os ◽  
Grzegorz Chal/asiński ◽  
Mary T. Berry ◽  
Robert Bukowski ◽  
Sl/awomir M. Cybulski
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Rovibrational States

Ab initio study of the potential energy surface of the reaction of ethylene with nitronium ion

1993 ◽  
Vol 58 (25) ◽  
pp. 7074-7078 ◽  
Author(s):  
Fernando Bernardi ◽  
Michael A. Robb ◽  
Ivan Rossi ◽  
Alessandro Venturini
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Ab Initio Study
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