Tropospheric degradation of 2-fluoropropene (CH3CFCH2) initiated by hydroxyl radical: Reaction mechanisms, kinetics and atmospheric implications from DFT study NK Gour, K Borthakur, S Paul, RC Deka Chemosphere 238, 124556, 2020 | 30 | 2020 |
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 on the kinetics and thermochemisty of H-atom abstraction reactions of 2-chloroethyl methyl ether (CH3OCH2CH2Cl) with OH radical at 298 K NK Gour, BK Mishra, I Hussain, RC Deka Structural Chemistry 27 (5), 1491-1499, 2016 | 20 | 2016 |
Single and multiple site Cu (II) catalysts for benzyl alcohol and catechol oxidation reactions G Gogoi, JK Nath, N Hoque, S Biswas, NK Gour, DJ Kalita, SR Bora, ... Applied Catalysis A: General 644, 118816, 2022 | 19 | 2022 |
Computational modelling of nanotube delivery of anti-cancer drug into glutathione reductase enzyme SS Begum, D Das, NK Gour, RC Deka Scientific Reports 11 (1), 4950, 2021 | 18 | 2021 |
Theoretical investigation on the kinetics and branching ratio of the gas phase reaction of sevoflurane with Cl atom HJ Singh, NK Gour, PK Rao, L Tiwari Journal of molecular modeling 19, 4815-4822, 2013 | 16 | 2013 |
Metal-free, redox-neutral, and visible light-triggered coupling of CO 2 with epoxides to cyclic carbonates at atmospheric pressure S Saini, SR Khan, NK Gour, RC Deka, SL Jain Green Chemistry 24 (9), 3644-3650, 2022 | 14 | 2022 |
Chirally modified cobalt-vanadate grafted on battery waste derived layered reduced graphene oxide for enantioselective photooxidation of 2-naphthol: Asymmetric induction … MJ Baruah, TJ Bora, G Gogoi, N Hoque, NK Gour, SK Bhargava, AK Guha, ... Journal of Colloid and Interface Science 608, 1526-1542, 2022 | 13 | 2022 |
Catalytic Oxidation of NO on [Au–M]− (M = Pd and Pt) Bimetallic Dimers: An Insight from Density Functional Theory Approach N Biswakarma, PJ Sarma, SD Baruah, NK Gour, RC Deka The Journal of Physical Chemistry C 124 (5), 3059-3068, 2020 | 13 | 2020 |
Kinetics, mechanism, and global warming potentials of HFO-1234yf initiated by O3 molecules and NO3 radicals: insights from quantum study S Paul, RC Deka, NK Gour Environmental Science and Pollution Research 25, 26144-26156, 2018 | 13 | 2018 |
Understanding the Atmospheric Oxidation of HFE-7500 (C3F7CF(OC2H5)CF(CF3)2) Initiated by Cl Atom and NO3 Radical from Theory PK Rao, RC Deka, NK Gour, SP Gejji The Journal of Physical Chemistry A 122 (33), 6799-6808, 2018 | 12 | 2018 |
Photocatalytic degradation of phenol and its derivatives over ZnFe layered double hydroxide D Bharali, S Saikia, R Devi, BM Choudary, NK Gour, RC Deka Journal of Photochemistry and Photobiology A: Chemistry 438, 114509, 2023 | 11 | 2023 |
Interstellar dehydrogenated PAH anions: vibrational spectra M Buragohain, A Pathak, P Sarre, NK Gour Monthly Notices of the Royal Astronomical Society 474 (4), 4594-4602, 2018 | 11 | 2018 |
Tropospheric degradation of HFE-7500 [n-C3F7CF (OCH2CH3) CF (CF3) 2] initiated by OH radicals and fate of alkoxy radical [n-C3F7CF (OCH (O) CH3) CF (CF3) 2]: a DFT investigation NK Gour, BK Mishra, PJ Sarma, P Begum, RC Deka Journal of Fluorine Chemistry 204, 11-17, 2017 | 11 | 2017 |
Night-time reaction of 2-chloroethyl methyl ether (CH3OCH2CH2Cl) initiated by NO3 radical: A theoretical insight NK Gour, PJ Sarma, BK Mishra, RC Deka Computational and Theoretical Chemistry 1110, 1-7, 2017 | 11 | 2017 |
A computational study on kinetics, mechanism and thermochemistry of gas-phase reactions of 3-hydroxy-2-butanone with OH radicals NK Gour, S Gupta, BK Mishra, HJ Singh Journal of Chemical Sciences 126, 1789-1801, 2014 | 11 | 2014 |
Theoretical study on the gas-phase reactions of ethyl butyrate with OH radicals at 298 K NK Gour, RC Deka, HJ Singh, BK Mishra Monatshefte für Chemie-Chemical Monthly 145, 1759-1767, 2014 | 11 | 2014 |
Atmospheric oxidation of 2-fluoropropene (CH3CF & xe001; CH2) with Cl atom and aerial degradation of its product radicals by computational study NK Gour, RC Deka, S Paul NEW JOURNAL OF CHEMISTRY 44 (8), 3434-3444, 2020 | 10 | 2020 |
Mechanistic investigation of the atmospheric oxidation of bis(2-chloroethyl) ether (ClCH2CH2OCH2CH2Cl) by OH and NO3 radicals and Cl atoms: a DFT … S Paul, NK Gour, RC Deka Journal of Molecular Modeling 25, 1-9, 2019 | 10 | 2019 |