scholarly journals Ab initio study of the CO–N2 complex: a new highly accurate intermolecular potential energy surface and rovibrational spectrum

2018 ◽  
Vol 20 (18) ◽  
pp. 12624-12636 ◽  
Author(s):  
Hubert Cybulski ◽  
Christian Henriksen ◽  
Richard Dawes ◽  
Xiao-Gang Wang ◽  
Neha Bora ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Intermolecular Potential ◽  
Ab Initio Study

We present a highly accurate ab initio intermolecular potential-energy surface and rovibrational spectrum for the CO–N2 complex.

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
Sign in / Sign up

Export Citation Format

Share Document