Theoretical Investigation on Atmospheric Chemistry of Volatile Anaesthetic Sevoflurane: Reactions with the OH Radicals and Atmospheric Fate of the Alkoxy Radical (CF3)2CHOCHFO … BK Mishra, M Lily, AK Chakrabartty, D Bhattacharjee, R Deka, ... New Journal of Chemistry 38, 2813-2822, 2014 | 45 | 2014 |
Kinetics, Mechanism and Thermochemistry of the Gas Phase Reactions of CF3CH2OCH2CF3 with OH Radicals: A Theoretical Study M Lily, BK Mishra, AK Chandra Journal of Fluorine Chemistry 161, 51-59, 2014 | 30 | 2014 |
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 53, 23-30, 2014 | 28 | 2014 |
Ab initio studies on the decomposition kinetics of CF3OCF2O radical HJ Singh, BK Mishra Journal of Molecular Modeling 17, 415-422, 2011 | 28 | 2011 |
Theoretical studies of decomposition kinetics of CF3CCl2O radical HJ Singh, BK Mishra, NK Gour Theoretical Chemistry Accounts 125, 57-64, 2010 | 26 | 2010 |
A Computational Perspective on Mechanism and Kinetics of the Reactions of CF3C(O)OCH2CF3 with OH radicals and Cl atoms at 298 K NK Gour, RC Deka, HJ Singh, BK Mishra Journal of Fluorine Chemistry 160, 64-71, 2014 | 25 | 2014 |
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 19, 3263 – 3270, 2013 | 24 | 2013 |
Ab initio studies on the reactivity of the CF3OCH2O radical: Thermal decomposition vs. reaction with O2 HJ Singh, BK Mishra Journal of molecular modeling 16, 1473-1480, 2010 | 22 | 2010 |
Theoretical investigation on the kinetics and thermochemisty of H-atom abstraction reactions of 2-chloroethyl methyl ether (CH3OCH2CH2Cl) with OH radical at 298 K RCD Nand Kishor Gour, Bhupesh Kumar Mishra, Iftikar Hussain Structural Chemistry 27 (5), 1491-1499, 2016 | 21 | 2016 |
Theoretical insight of nitric oxide adsorption on neutral and charged Pdn (n = 1–5) clusters RCD P Begum, P Gogoi, BK Mishra International Journal of Quantum Chemistry 115 (13), 837–845, 2015 | 21 | 2015 |
A theoretical investigation on the kinetics, mechanism and thermochemistry of gas-phase reactions of methyl acetate with chlorine atoms at 298 K RC Deka, BK Mishra Chemical Physics Letters 595, 43-47, 2014 | 21 | 2014 |
Catalytic oxidation of NO by Au2− dimers: a DFT study RC Deka, D Bhattacharjee, AK Chakrabartty, BK Mishra RSC Advances 4 (11), 5399-5404, 2014 | 19 | 2014 |
Mechanistic and kinetics study of the gas phase reactions of methyltrifluoroacetate with OH radical and Cl atom AK Chakrabartty, BK Mishra, D Bhattacharjee, RC Deka Molecular Physics 111 (7), 860-867, 2013 | 19 | 2013 |
A Theoretical Insight on Atmospheric Chemistry of HFE-7100 and Perfluoro-butyl Formate: Reactions with OH Radicals and Cl Atoms and Fate of Alkoxy Radical BK Mishra, M Lily, R Deka, AK Chandra New Journal of Chemistry 40 (7), 6148-6155, 2016 | 17 | 2016 |
A DFT study on kinetics of the gas phase reactions of CH3CH2OCF3 with OH radicals and Cl atoms BK Mishra, M Lily, AK Chakrabartty, RC Deka, AK Chandra Journal of Fluorine Chemistry 159, 57-64, 2014 | 17 | 2014 |
Computational study on the thermal decomposition and isomerization of the CH3OCF2O• radical HJ Singh, BK Mishra, PK Rao Canadian Journal of Chemistry 90 (4), 403-409, 2012 | 17 | 2012 |
Theoretical investigation on gas–phase reaction of CF3CH2OCH3 with OH radicals and fate of alkoxy radicals (CF3CH(O)OCH3/CF3CH2OCH2O) BK Mishra, M Lily, RC Deka, AK Chandra Journal of Molecular Graphics and Modelling 50, 90-99, 2014 | 16 | 2014 |
Theoretical Investigation on Atmospheric Fate of CF3C(O)OCH(O)CF3 Radical: Alpha-ester Rearrangement vs Oxidation BK Mishra RSC Advances 4 (32), 16759-16764, 2014 | 16 | 2014 |
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 25, 463-470, 2014 | 15 | 2014 |
Theoretical study on the kinetics and branching ratios of the gas phase reactions of 4, 4, 4-Trifluorobutanal (TFB) with OH radical in the temperature range of 250-400K and … AK Chakrabartty, BK Mishra, D Bhattacharjee, RC Deka Journal of Fluorine Chemistry 154, 60-66, 2013 | 15 | 2013 |