exit barrier
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PLoS ONE ◽  
2019 ◽  
Vol 14 (10) ◽  
pp. e0223285
Author(s):  
Jeffrey G. Hoggard ◽  
Richard D. Blair ◽  
Manuel Montero ◽  
Moustafa A. Moustafa ◽  
Joseph Newman ◽  
...  

2013 ◽  
Vol 316-317 ◽  
pp. 933-936
Author(s):  
Tian Cheng Xiang ◽  
Hong Yan Si

The triplet potential surface of the O (3P) + HCONH2 reaction has been investigated at the CCSD (T)//B3LYP/6-311G (d,p) level. DFT calculations show that the reaction occurs dominantly via the H - abstraction rather than the O- addition mechanism on the triplet potential surface. The product of OH and CONH2 should be the major product, which obtained by a direct dissociation of the adduct im6 without an exit barrier.


2010 ◽  
Vol 133 (6) ◽  
pp. 064303 ◽  
Author(s):  
G. A. Amaral ◽  
A. Arregui ◽  
L. Rubio-Lago ◽  
J. D. Rodríguez ◽  
L. Bañares
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