Ab Initio Study and Nbo Analysis of the Unimolecular Decomposition Kinetics of 2,2-Dimethyloxetane

2012 ◽  
Vol 37 (3) ◽  
pp. 277-290 ◽  
Author(s):  
Abolfazl Shiroudi ◽  
Ehsan Zahedi
Keyword(s):  
Ab Initio ◽  
Nbo Analysis ◽  
Decomposition Kinetics ◽  
Ab Initio Study ◽  
Unimolecular Decomposition ◽  
Kinetics Of

Ab initio studies on the decomposition kinetics of CF3OCF2O radical

2010 ◽  
Vol 17 (3) ◽  
pp. 415-422 ◽  
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Hari Ji Singh ◽  
Bhupesh Kumar Mishra
Keyword(s):  
Ab Initio ◽  
Decomposition Kinetics ◽  
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

A Combined Experimental and Theoretical Study of the Homogeneous, Unimolecular Decomposition Kinetics of 3-Chloropivalic Acid in the Gas Phase

2001 ◽  
Vol 105 (10) ◽  
pp. 1869-1875 ◽  
Author(s):  
Gabriel Chuchani ◽  
Alexandra Rotinov ◽  
Juan Andrés ◽  
Luís R. Domingo ◽  
V. Sixte Safont
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Decomposition Kinetics ◽  
Unimolecular Decomposition ◽  
Kinetics Of

Unimolecular decomposition of chemically activated triplet C4HD3 complexes: A combined crossed-beam and ab initio study

2001 ◽  
Vol 115 (11) ◽  
pp. 5117-5125 ◽  
Author(s):  
R. I. Kaiser ◽  
A. M. Mebel ◽  
Y. T. Lee ◽  
A. H. H. Chang
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Unimolecular Decomposition

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

2006 ◽  
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

Ab Initio Study of Unimolecular Decomposition of Nitroethylene

1999 ◽  
Vol 103 (50) ◽  
pp. 11040-11044 ◽  
Author(s):  
Asta Gindulytė ◽  
Lou Massa ◽  
Lulu Huang ◽  
Jerome Karle
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Unimolecular Decomposition

Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocine), an ab Initio Study

2001 ◽  
Vol 105 (8) ◽  
pp. 1302-1314 ◽  
Author(s):  
Debashis Chakraborty ◽  
Richard P. Muller ◽  
Siddharth Dasgupta ◽  
William A. Goddard
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Unimolecular Decomposition
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