Ab initio study of ammonium perchlorate combustion initiation processes: unimolecular decomposition of perchloric acid and the related OH + ClO3reaction

PhysChemComm ◽  
2001 ◽  
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pp. 127-132 ◽  
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M. C. Lin
Keyword(s):  
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Unimolecular decomposition of chemically activated triplet C4HD3 complexes: A combined crossed-beam and ab initio study

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

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 ◽  
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Ab initio study of the unimolecular decomposition of 2-butenenitrile: Molecular elimination channels

2006 ◽  
Vol 107 (1) ◽  
pp. 92-104
Author(s):  
Chang Young Oh ◽  
Heechol Choi ◽  
Hong Lae Kim
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Unimolecular Decomposition

Ab initio study of spin-forbidden unimolecular decomposition of carbon dioxide

2000 ◽  
Vol 256 (2) ◽  
pp. 169-176 ◽  
Author(s):  
Der-Yan Hwang ◽  
Alexander M. Mebel
Keyword(s):  
Carbon Dioxide ◽  
Ab Initio ◽  
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Unimolecular Decomposition Pathways of Dimethyl Ether:  An ab Initio Study

1998 ◽  
Vol 102 (1) ◽  
pp. 236-241 ◽  
Author(s):  
John J. Nash ◽  
Joseph S. Francisco
Keyword(s):  
Ab Initio ◽  
Dimethyl Ether ◽  
Ab Initio Study ◽  
Unimolecular Decomposition

scholarly journals The Mechanism for Unimolecular Decomposition of RDX (1,3,5-Trinitro-1,3,5-triazine), an ab Initio Study

2000 ◽  
Vol 104 (11) ◽  
pp. 2261-2272 ◽  
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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