Theoretical investigation of atmospheric chemistry of volatile anaesthetic sevoflurane: reactions with the OH radicals and atmospheric fate of the alkoxy radical (CF 3) …
A theoretical study on the mechanism and kinetics of the gas phase reactions of a volatile
anaesthetic compound (CF3) 2CHOCH2F (Sevoflurane) with the OH radicals has been …
anaesthetic compound (CF3) 2CHOCH2F (Sevoflurane) with the OH radicals has been …
Theoretical and experimental insights into the· OH-mediated mineralization mechanism of flutriafol
Flutriafol is one of the widely used triazole fungicides in global pesticides market, and its
degradation mechanisms are important to develop powerful technologies to remove it …
degradation mechanisms are important to develop powerful technologies to remove it …
Theoretical studies on kinetics, mechanism and thermochemistry of gas-phase reactions of HFE-449mec-f with OH radicals and Cl atom
RC Deka, BK Mishra - Journal of Molecular Graphics and Modelling, 2014 - Elsevier
A theoretical study on the mechanism and kinetics of the gas phase reactions of CF 3
CHFCF 2 OCH 2 CF 3 (HFE-449mec-f) with the OH radicals and Cl atom have been …
CHFCF 2 OCH 2 CF 3 (HFE-449mec-f) with the OH radicals and Cl atom have been …
A computational perspective on mechanism and kinetics of the reactions of CF3C (O) OCH2CF3 with OH radicals and Cl atoms at 298 K
Theoretical investigations are carried out on the gas-phase reactions of CF 3 C (O) OCH 2
CF 3, 2, 2, 2-trifluoroethyl trifluoroacetate (TFETFA) with OH radicals and Cl atoms by means …
CF 3, 2, 2, 2-trifluoroethyl trifluoroacetate (TFETFA) with OH radicals and Cl atoms by means …
[HTML][HTML] Theoretical investigation of the gas-phase reactions of CF2ClC(O)OCH3 with the hydroxyl radical and the chlorine atom at 298 K
BK Mishra, AK Chakrabartty, RC Deka - Journal of molecular modeling, 2013 - Springer
A Theoretical study on the mechanism of the reactions of CF 2 ClC (O) OCH 3 with the OH
radical and Cl atom is presented. Geometry optimization and frequency calculations have …
radical and Cl atom is presented. Geometry optimization and frequency calculations have …
A DFT study on kinetics of the gas phase reactions of CH3CH2OCF3 with OH radicals and Cl atoms
A theoretical study on the mechanism and kinetics of the gas phase reactions of CH 3 CH 2
OCF 3 (HFE-263) with the OH radicals and Cl atoms have been performed using meta …
OCF 3 (HFE-263) with the OH radicals and Cl atoms have been performed using meta …
Mechanistic and kinetics study of the gas phase reactions of methyltrifluoroacetate with OH radical and Cl atom
AK Chakrabartty, BK Mishra, D Bhattacharjee… - Molecular …, 2013 - Taylor & Francis
Theoretical investigations are carried out on the title reactions by means of ab initio and DFT
methods. The optimized geometries, frequencies and minimum energy path are obtained at …
methods. The optimized geometries, frequencies and minimum energy path are obtained at …
Theoretical investigation on the atmospheric fate of the CF 3 C (O) OCH (O) CF 3 radical: alpha-ester rearrangement vs. oxidation
BK Mishra - RSC Advances, 2014 - pubs.rsc.org
A detailed quantum chemical study is performed on the unimolecular decomposition
reaction of the alkoxy radical, CF3C (O) OCH (O) CF3 produced from CF3C (O) OCH2CF3 …
reaction of the alkoxy radical, CF3C (O) OCH (O) CF3 produced from CF3C (O) OCH2CF3 …
[HTML][HTML] A theoretical investigation on the kinetics and reactivity of the gas-phase reactions of ethyl chlorodifluoroacetate with OH radical and Cl atom at 298 K
BK Mishra, AK Chakrabartty, RC Deka - Structural Chemistry, 2014 - Springer
The mechanism, kinetics, and thermochemistry of the gas-phase reactions of CF 2 ClC (O)
OCH 2 CH 3, ethyl chlorodifluoroacetate (ECDFA) with the OH radical and Cl atom are …
OCH 2 CH 3, ethyl chlorodifluoroacetate (ECDFA) with the OH radical and Cl atom are …
A computational perspective on the kinetics and thermochemistry of the gas phase reactions of 1, 1-dichlorodimethylether (DCDME) with OH radical at 298 K
BK Mishra, AK Chakrabartty, RC Deka - Molecular Physics, 2014 - Taylor & Francis
Kinetics and thermochemistry of the gas phase reactions between CH3OCHCl2 (DCDME)
and OH radical are investigated theoretically. The geometries and all the stationary points …
and OH radical are investigated theoretically. The geometries and all the stationary points …