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

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 on Conformational Features of Protonated 5H,7H-Dibenzo- [b,g][1,5]dithiocin Oxides by ab initio MO Calculations

Heterocycles ◽  
2004 ◽  
Vol 62 (1) ◽  
pp. 235 ◽  
Author(s):  
Katsuo Ohkata ◽  
Keiji Okada ◽  
Masato Tanaka
Keyword(s):  
Ab Initio ◽  
Computational Study ◽  
Mo Calculations ◽  
Ab Initio Mo Calculations ◽  
Ab Initio Mo
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