Degradation of hydrofluoro-olefins (HFOs) with oxidants plays a significant role in the
troposphere. Thus, we have investigated detail theoretical calculations of hydroxyl radical (• …

It is essential to understand the tropospheric chemistry and environmental impact of 1, 1, 2, 3-
tetrafluoropropene (CF2= CF–CH2F) before its wide-scale applications. So, in this present …

The gas phase and heterogeneous reaction on mineral dust aerosols of trace gases could
significantly affect the tropospheric oxidation capacity and aerosol composition of the …

A detailed degradation study of the halogenated alkenes initiated by oxidants present in the
atmosphere is of utmost importance because of its ability to release free halogen, which …

In this study, the conversion mechanisms and kinetics of propadiene (CH2CCH2) induced
by NO3 were researched using density functional theory (DFT) and transition state theory …

A novel range of stabilised Criegee intermediate (sCI) species with halogenated substituent
groups have been identified as products to the reaction between with gaseous ozone and …

In order to reveal the flame suppression mechanism of dodecafluoro-2-methylpentan-3-one
(C6F12O) in lithium-ion battery fire, the related chemical reaction kinetics on C6F12O and …

This thesis is centred around a common theme of using computational chemistry to
investigate reactions that either produce or deplete atmospheric Criegee intermediates …

To understand the atmospheric chemistry of hydrofluoroethers, we have studied the
oxidation of a highly fluorinated compound nC 2 F 5 CF (OCH 3) CF (CF 3) 2 (HFE-7300) by …

In this manuscript, we have explored the reaction mechanism, kinetics and global warming
potentials of Z-and E-isomers of CF 3 CHdouble bondCHC 2 F 5 molecule initiated by OH …