-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
-Binding patterns of derivatives of fisetin and chrysin to the enzyme complex cyclin-dependent kinase 6/cyclin D, S Sarma, NK Gour, D Dowerah, SS Begum, RC Deka
Theoretical Chemistry Accounts 142 (11), 116, 2023
-Computational studies of anti-cancer drug mediated by graphene and reaction mechanism of drug generated alkyl radical with guanine. SS Begum, NK Gour, U Sonavane, SK Ray, RC Deka, Journal of Molecular Structure 1196, 527-535, 2019.
-Kinetics and mechanism of 3-chloro-2-methyl-1-propene(3-ClMP) initiated by OH radical: an insight from DFT calculations[1] SS Begum, NK Gour, SD Baruah, RC Deka
Molecular Physics 117 (3), 280-288, 2019
-Theoretical prediction of the mechanistic pathways and kinetics of methylcyclohexane initiated by OH radicals SS Begum, RC Deka, NK Gour Molecular Physics 116 (12), 1589-1597, 2018.
-Computational study on night-time reaction of 1, 1-Dichlorodimethylether (DCDME) CH3OCHCl2 with NO3 radical and the fortuity of alkoxy radical CH3OC (O) Cl2
NK Gour, SS Begum, RC Deka, Chemical Physics Letters 701, 157-164, 2018
