Accurate ab Initio Thermal Rate Constants for Reaction of O(3P) with H2 and Isotopic Analogues

2014 ◽  
Vol 118 (27) ◽  
pp. 4918-4928 ◽  
Author(s):  
Thanh Lam Nguyen ◽  
John F. Stanton
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Thermal Rate Constants

scholarly journals Direct ab initio dynamics calculations of thermal rate constants for the CH4 + O2 = CH3 + HO2 reaction

2014 ◽  
Vol 25 (5) ◽  
pp. 1495-1503 ◽  
Author(s):  
Tam V.-T. Mai ◽  
Minh v. Duong ◽  
Xuan T. Le ◽  
Lam K. Huynh ◽  
Artur Ratkiewicz
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Thermal Rate Constants

Ab initio mechanism and thermal rate constants for the reaction of atomic H with Ge2H6

2002 ◽  
Vol 27 (2) ◽  
pp. 289-294 ◽  
Author(s):  
Qingzhu Zhang ◽  
Yueshu Gu ◽  
Shaokun Wang
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Thermal Rate Constants
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