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

The NCO + NO Reaction Revisited:  Ab Initio MO/VRRKM Calculations for Total Rate Constant and Product Branching Ratios

2000 ◽  
Vol 104 (46) ◽  
pp. 10807-10811 ◽  
Author(s):  
Rongshun Zhu ◽  
M. C. Lin
Keyword(s):  
Ab Initio ◽  
Rate Constant ◽  
Branching Ratios ◽  
Total Rate ◽  
Ab Initio Mo ◽  
Product Branching

Computational Study of the HCCO + NO Reaction:  ab Initio MO/vRRKM Calculations of the Total Rate Constant and Product Branching Ratios

2003 ◽  
Vol 107 (7) ◽  
pp. 1066-1076 ◽  
Author(s):  
I. V. Tokmakov ◽  
L. V. Moskaleva ◽  
D. V. Paschenko ◽  
M. C. Lin
Keyword(s):  
Ab Initio ◽  
Rate Constant ◽  
Computational Study ◽  
Branching Ratios ◽  
Total Rate ◽  
Ab Initio Mo ◽  
Product Branching

Determination of the rate constant and of product branching ratios in the reaction of CH3O2 with OCl between 233 and 300 K

1994 ◽  
Vol 98 (10) ◽  
pp. 1298-1302 ◽  
Author(s):  
A. S. Kukui ◽  
T. P. W. Jungkamp ◽  
R. N. Schindler
Keyword(s):  
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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