Thermal decomposition of ethanol. I. Ab Initio molecular orbital/Rice–Ramsperger–Kassel–Marcus prediction of rate constant and product branching ratios

2002 ◽  
Vol 117 (7) ◽  
pp. 3224-3231 ◽  
Author(s):  
J. Park ◽  
R. S. Zhu ◽  
M. C. Lin
Keyword(s):  
Thermal Decomposition ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Rate Constant ◽  
Branching Ratios ◽  
Product Branching

Ab Initio Energies and Product Branching Ratios for the O + C3H6Reaction

2007 ◽  
Vol 111 (50) ◽  
pp. 12977-12984 ◽  
Author(s):  
Gary D. DeBoer ◽  
James A. Dodd
Keyword(s):  
Ab Initio ◽  
Branching Ratios ◽  
Product Branching
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