Production of Aliphatic and Aromatic Compounds in the High Temperature Decomposition of Propargyl Chloride. Single Pulse Shock Tube Experiments, Quantum Chemical Calculations, and Computer Modeling

2019 ◽  
Vol 123 (4) ◽  
pp. 811-822
Author(s):  
Faina Dubnikova ◽  
Carmen Tamburu ◽  
Assa Lifshitz
Keyword(s):  
High Temperature ◽  
Shock Tube ◽  
Computer Modeling ◽  
Quantum Chemical Calculations ◽  
Aromatic Compounds ◽  
Quantum Chemical ◽  
Single Pulse ◽  
Temperature Decomposition

Thermal Reactions of Benzoxazole. Single Pulse Shock Tube Experiments and Quantum Chemical Calculations

2006 ◽  
Vol 110 (13) ◽  
pp. 4607-4613 ◽  
Author(s):  
Assa Lifshitz ◽  
Carmen Tamburu ◽  
Aya Suslensky ◽  
Faina Dubnikova
Keyword(s):  
Shock Tube ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Single Pulse ◽  
Thermal Reactions

A chemically consistent rate constant for the reaction of nitrogen dioxide with the oxygen atom

2021 ◽  
Vol 23 (1) ◽  
pp. 585-596
Author(s):  
Yan Li ◽  
Sandra Javoy ◽  
Remy Mevel ◽  
Xuefei Xu
Keyword(s):  
Experimental Data ◽  
High Temperature ◽  
Low Temperature ◽  
Oxygen Atom ◽  
Nitrogen Dioxide ◽  
Quantum Chemical Calculations ◽  
Rate Constant ◽  
Quantum Chemical

In the present study, a chemically consistent rate constant for the reaction between nitrogen dioxide and the oxygen atom has been obtained by combining low-temperature experimental data from the literature and new high-temperature quantum chemical calculations.

Single-pulse shock-tube studies on C-NO2 bond cleavage during the decomposition of some nitro aromatic compounds

1986 ◽  
Vol 90 (22) ◽  
pp. 5968-5973 ◽  
Author(s):  
Wing Tsang ◽  
David Robaugh ◽  
W. Gary Mallard
Keyword(s):  
Shock Tube ◽  
Aromatic Compounds ◽  
Bond Cleavage ◽  
Single Pulse ◽  
Nitro Aromatic
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