Reaction mechanisms and kinetics of the iminovinylidene radical with NO: Ab initio study

2014 ◽  
Vol 140 (20) ◽  
pp. 204316
Author(s):  
Ming-Kai Hsiao ◽  
Yi-Hua Chung ◽  
Yu-Ming Hung ◽  
Hui-Lung Chen
Keyword(s):  
Ab Initio ◽  
Reaction Mechanisms ◽  
Ab Initio Study ◽  
Kinetics Of

Ab Initio Study on the Kinetics of Hydrogen Abstraction for the H + Alkene → H2+ Alkenyl Reaction Class

2007 ◽  
Vol 111 (11) ◽  
pp. 2156-2165 ◽  
Author(s):  
Lam K. Huynh ◽  
Sylwester Panasewicz ◽  
Artur Ratkiewicz ◽  
Thanh N. Truong
Keyword(s):  
Ab Initio ◽  
Hydrogen Abstraction ◽  
Ab Initio Study ◽  
Kinetics Of

Understanding propyl cyanide and its isomers formation: ab initio study of the spectroscopy and reaction mechanisms

2019 ◽  
Vol 21 (42) ◽  
pp. 23375-23384 ◽  
Author(s):  
Boutheïna Kerkeni ◽  
Victoria Gámez ◽  
Maria Luisa Senent ◽  
Nicole Feautrier
Keyword(s):  
Ab Initio ◽  
Reaction Mechanisms ◽  
Galactic Center ◽  
Theoretical Studies ◽  
Ab Initio Study ◽  
Star Forming ◽  
Branched Structures ◽  
Experimental And Theoretical Studies

Recent detection of propyl cyanide (C3H7CN) toward the Galactic Center star-forming source Sagittarius B2(N) with both linear and branched structures has stimulated many experimental and theoretical studies.

Experimental and ab Initio Study of the HO2·CH3OH Complex:  Thermodynamics and Kinetics of Formation†

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Vol 110 (21) ◽  
pp. 6948-6959 ◽  
Author(s):  
Lance E. Christensen ◽  
Mitchio Okumura ◽  
Jaron C. Hansen ◽  
Stanley P. Sander ◽  
Joseph S. Francisco
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of Formation ◽  
Kinetics Of

Reaction mechanisms of phosphorus fluorides: An ab initio study

1997 ◽  
Vol 83 (1) ◽  
pp. 27-30 ◽  
Author(s):  
Alexander F. Janzen ◽  
Xiaobo Ou ◽  
Michael G. Sowa
Keyword(s):  
Ab Initio ◽  
Reaction Mechanisms ◽  
Ab Initio Study ◽  
Phosphorus Fluorides
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