Quantum Chemical and Statistical Rate Theory Studies of the Vinyl Hydroperoxides Formed in trans-2-Butene and 2,3-Dimethyl-2-butene Ozonolysis

2018 ◽  
Vol 122 (9) ◽  
pp. 2485-2502 ◽  
Author(s):  
Keith T. Kuwata ◽  
Lina Luu ◽  
Alexander B. Weberg ◽  
Ke Huang ◽  
Austin J. Parsons ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Rate Theory ◽  
Statistical Rate Theory ◽  
In Trans

The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study

2014 ◽  
Vol 16 (11) ◽  
pp. 5349 ◽  
Author(s):  
Kieran P. Somers ◽  
John M. Simmie ◽  
Wayne K. Metcalfe ◽  
Henry J. Curran
Keyword(s):  
Quantum Chemical ◽  
Kinetic Modelling ◽  
Rate Theory ◽  
Statistical Rate Theory ◽  
Modelling Study

scholarly journals The reactions of N-methylformamide and N,N-dimethylformamide with OH and their photo-oxidation under atmospheric conditions: experimental and theoretical studies

2015 ◽  
Vol 17 (10) ◽  
pp. 7046-7059 ◽  
Author(s):  
Arne Joakim C. Bunkan ◽  
Jens Hetzler ◽  
Tomáš Mikoviny ◽  
Armin Wisthaler ◽  
Claus J. Nielsen ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Laser Photolysis ◽  
Atmospheric Oxidation ◽  
Rate Theory ◽  
Theoretical Studies ◽  
Smog Chamber ◽  
Atmospheric Conditions ◽  
Photo Oxidation ◽  
Statistical Rate Theory ◽  
Experimental And Theoretical Studies

The atmospheric oxidation of amides is studied with a combination of laser photolysis and smog chamber experiments along with quantum chemical and statistical rate theory calculations.

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