scholarly journals Ab initio kinetics predictions for H-atom abstraction from diethoxymethane by hydrogen, methyl, and ethyl radicals and the subsequent unimolecular reactions

2019 ◽  
Vol 37 (1) ◽  
pp. 275-282 ◽  
Author(s):  
Leif C. Kröger ◽  
Malte Döntgen ◽  
Dzmitry Firaha ◽  
Wassja A. Kopp ◽  
Kai Leonhard
Keyword(s):  
Ab Initio ◽  
Unimolecular Reactions ◽  
Ethyl Radicals

Unimolecular reactions of the enolic tautomer of ionized acetic acid in the gas phase: an ab initio and RRKM study

1988 ◽  
Vol 92 (12) ◽  
pp. 3336-3341 ◽  
Author(s):  
Rosa Caballol ◽  
Josep M. Poblet ◽  
Jose Pedro Sarasa ◽  
Santiago Olivella ◽  
Albert Sole
Keyword(s):  
Acetic Acid ◽  
Ab Initio ◽  
Gas Phase ◽  
Unimolecular Reactions

Ab initio and RRKM studies of the unimolecular reactions of CH2XCHFO (X=H, F) radicals

2000 ◽  
Vol 2 (1) ◽  
pp. 61-66 ◽  
Author(s):  
Hua Hou ◽  
Baoshan Wang ◽  
Yueshu Gu
Keyword(s):  
Ab Initio ◽  
Unimolecular Reactions

Ab initio kinetics predictions for H-atom abstraction from 2-butanone by H˙ and C˙H3 and the subsequent unimolecular reactions

2017 ◽  
Vol 36 (1) ◽  
pp. 203-210 ◽  
Author(s):  
Wassja A. Kopp ◽  
Ultan Burke ◽  
Malte Döntgen ◽  
Leif C. Kröger ◽  
Heiko Minwegen ◽  
...  
Keyword(s):  
Ab Initio ◽  
Unimolecular Reactions
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