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Bhupesh Kumar Mishra

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Articles 13
Citations 29
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Recent Articles
1.
Kureshi R, Thakker D, Mishra B, Barnes J
Sensors (Basel) . 2023 Apr; 23(7). PMID: 37050669
The topic of indoor air pollution has yet to receive the same level of attention as ambient pollution. We spend considerable time indoors, and poorer indoor air quality affects most...
2.
Kureshi R, Mishra B, Thakker D, John R, Walker A, Simpson S, et al.
Sensors (Basel) . 2022 Feb; 22(3). PMID: 35161837
With the emergence of Low-Cost Sensor (LCS) devices, measuring real-time data on a large scale has become a feasible alternative approach to more costly devices. Over the years, sensor technologies...
3.
Paul S, Mishra B, Baruah S, Deka R, Gour N
Environ Sci Pollut Res Int . 2019 Dec; 27(1):907-920. PMID: 31820248
To understand the atmospheric chemistry of hydrofluoroethers, we have studied the oxidation of a highly fluorinated compound n-CFCF(OCH)CF(CF) (HFE-7300) by OH/Cl oxidants. Here, we have employed M06-2X functional along with...
4.
Bhattacharjee D, Mishra B, Deka R
J Mol Model . 2015 Mar; 21(4):69. PMID: 25750024
In the present work, theoretical study on the mechanism and kinetics of the gas-phase reactions of CF3CF2CH2OCH3 (HFE-365mcf3) with the OH radicals have been performed using meta-hybrid modern density functional...
5.
Mishra B, Singh H, Tiwari L
J Mol Model . 2014 Oct; 20(10):2475. PMID: 25304366
Theoretical investigations were carried out on the gas-phase reactions of CF3C(O)OCH2CH3, ethyl trifluoroacetate (ETFA) with Cl atoms by means of modern density functional theory methods. The optimized geometries, frequencies and...
6.
Mishra B
J Mol Model . 2014 Sep; 20(9):2444. PMID: 25208556
A theoretical study on the mechanism of the thermal decomposition of CF(3)C(O)OCH(2)O radical is presented for the first time. Geometry optimization and frequency calculations were performed at the MPWB1K/6-31 + ...
7.
Mishra B, Deka R
J Phys Chem A . 2014 Aug; 118(38):8779-86. PMID: 25170971
We theoretically investigated OH-initiated hydrogen abstraction reactions of methyl fluoroacetate (MFA) CH2FC(O)OCH3 at the MPWB1K level of theory in conjunction with the 6-31+G(d,p) basis set. Thermodynamic and kinetic data are...
8.
Deka R, Mishra B
J Mol Graph Model . 2014 Jul; 53:23-30. PMID: 25068438
A theoretical study on the mechanism and kinetics of the gas phase reactions of CF3CHFCF2OCH2CF3 (HFE-449mec-f) with the OH radicals and Cl atom have been performed using meta-hybrid modern density...
9.
Mishra B, Lily M, Deka R, Chandra A
J Mol Graph Model . 2014 Apr; 50:90-9. PMID: 24769690
Detailed theoretical investigation has been performed on the mechanism, kinetics and thermochemistry of the gas phase reactions of CF3CH2OCH3 (HFE-263fb2) with OH radicals using ab-initio and DFT methods. Reaction profiles...
10.
Mishra B, Chakrabartty A, Deka R
J Mol Model . 2013 May; 19(8):3263-70. PMID: 23652484
A Theoretical study on the mechanism of the reactions of CF2ClC(O)OCH3 with the OH radical and Cl atom is presented. Geometry optimization and frequency calculations have been performed at the...