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

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

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

Characterization of intermediates on the 1O2 + R2S potential energy surface. A high-level ab initio study

1998 ◽  
Vol 422 (1-3) ◽  
pp. 123-132 ◽  
Author(s):  
Christine Shangguan ◽  
Michael A. McAllister
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Ab Initio Study ◽  
High Level

Ab initio study of the potential energy surface for the interaction of sodium(1+) with molecular hydrogen and the geometries and energies of Na+(H2)n, n = 2-4

1993 ◽  
Vol 97 (5) ◽  
pp. 1011-1018 ◽  
Author(s):  
M. F. Falcetta ◽  
J. L. Pazun ◽  
M. J. Dorko ◽  
D. Kitchen ◽  
P. E. Siska
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Molecular Hydrogen ◽  
Energy Surface ◽  
Ab Initio Study

Ab initio study of the stationary points on the potential energy surface for the acetylene hydrogen-bonded tetramer

1991 ◽  
Vol 228 ◽  
pp. 191-199 ◽  
Author(s):  
Wagner B. De Almeida ◽  
Alan Hinchliffe ◽  
J. Simon Craw
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Stationary Points ◽  
Ab Initio Study ◽  
Hydrogen Bonded

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

Ab initio study on the potential energy surface and geometric isomers of the HBr–N2O (1:1) cluster

2001 ◽  
Vol 349 (3-4) ◽  
pp. 329-334 ◽  
Author(s):  
A. Okano ◽  
H. Ohoyama ◽  
T. Kasai
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Geometric Isomers ◽  
Ab Initio Study
Sign in / Sign up

Export Citation Format

Share Document