SACM/CT Study of the dissociation/recombination dynamics of hydrogen peroxide on an ab initio potential energy surface : Part II. Specific rate constants k(E,J), thermal rate constants k∞(T), and lifetime distributions

2008 ◽  
Vol 10 (26) ◽  
pp. 3915 ◽  
Author(s):  
J. Troe ◽  
V. G. Ushakov
Keyword(s):  
Hydrogen Peroxide ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Rate Constants ◽  
Energy Surface ◽  
Specific Rate ◽  
Lifetime Distributions ◽  
Thermal Rate Constants ◽  
Recombination Dynamics

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
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