Theoretical study on the kinetics of hydrogen cyanide and hydrogen isocyanide reactions with the methyl radical

The detailed kinetic mechanisms for the reactions of hydrogen cyanide (HCN) and hydrogen isocyanide (HNC) with the methyl radical (CH 3 ) are discussed. These are important reactions in combustion and Titan's atmosphere chemistry and were investigated at the CCSD(T)/cc-pVQZ//M06-2X/6-311++G(2df...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2023-04, Vol.25 (14), p.1121-1128
Hauptverfasser:	Xie, Jibiao, Song, Jinou
Format:	Artikel
Sprache:	eng
Schlagworte:	Atmospheric models Combustion Cyanides High temperature Hydrogen Hydrogen cyanide Low temperature Methyl radicals Potential energy Pressure dependence Rate constants Reaction mechanisms Satellite atmospheres Temperature Temperature dependence
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