Ab initio study on the methanol-water cation radical potential energy surface

1993 ◽  
Vol 87 (1-2) ◽  
pp. 97-105 ◽  
Author(s):  
Rudolf Burcl ◽  
Pavel Hobza
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Cation Radical ◽  
Ab Initio Study

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 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

An ab initio study of the potential energy surface in the S1 state of 2-hydroxypyridine

1996 ◽  
Vol 213 (1-3) ◽  
pp. 193-201 ◽  
Author(s):  
Andrzej L. Sobolewski ◽  
Ludwik Adamowicz
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Ab Initio Study

An ab-initio study of the potential energy surface for the O-H—O bond in KH2PO4

1992 ◽  
Vol 132 (1) ◽  
pp. 165-172 ◽  
Author(s):  
Y. G. Hao ◽  
X. Y. Sun ◽  
N. S. Dalal
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Ab Initio Study
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