Fluorene-based chemodosimeter for “turn-on” sensing of cyanide by hampering ESIPT and live cell imaging MK Bera, C Chakraborty, PK Singh, C Sahu, K Sen, S Maji, AK Das, ... Journal of Materials Chemistry B 2 (29), 4733-4739, 2014 | 57 | 2014 |
Kinetics and mechanism of the tropospheric oxidation of vinyl acetate initiated by OH radical: a theoretical study D Mandal, C Sahu, S Bagchi, AK Das The Journal of Physical Chemistry A 117 (18), 3739-3750, 2013 | 46 | 2013 |
Performance of dispersion-corrected double hybrid density functional theory: A computational study of OCS-hydrocarbon van der Waals complexes S Pakhira, K Sen, C Sahu, AK Das The Journal of chemical physics 138 (16), 2013 | 31 | 2013 |
Dispersion corrected double high-hybrid and gradient-corrected density functional theory study of light cation–dihydrogen (M+–H2, where M = Li, Na, B and Al … S Pakhira, C Sahu, K Sen, AK Das Structural Chemistry 24, 549-558, 2013 | 19 | 2013 |
Can two T-shaped isomers of OCS–C2H2 van der Waals complex exist? S Pakhira, C Sahu, K Sen, AK Das Chemical Physics Letters 549, 6-11, 2012 | 19 | 2012 |
A computational study of detoxification of lewisite warfare agents by British anti-lewisite: catalytic effects of water and ammonia on reaction mechanism and kinetics C Sahu, S Pakhira, K Sen, AK Das The journal of physical chemistry A 117 (16), 3496-3506, 2013 | 18 | 2013 |
Solvolysis of organophosphorus pesticide parathion with simple and nucleophiles: a theoretical study C Sahu, AK Das Journal of Chemical Sciences 129, 1301-1317, 2017 | 12 | 2017 |
Theoretical study of efficiency of metal cations (Mg+, Ca+, and Ag+) for effective hydrogen storage K Sen, S Pakhira, C Sahu, AK Das Molecular Physics 112 (2), 182-188, 2014 | 9 | 2014 |
Size dependent structural, electronic, and magnetic properties of ScN (N=2-14) clusters investigated by density functional theory S Bhunia, N Vyas, C Sahu, AK Ojha Journal of molecular modeling 20, 1-14, 2014 | 8 | 2014 |
Association reaction between SiH3 and H2O2: a computational study of the reaction mechanism and kinetics K Sen, B Mondal, S Pakhira, C Sahu, D Ghosh, AK Das Theoretical Chemistry Accounts 132, 1-17, 2013 | 7 | 2013 |
Theoretical study of catalytic oxidation of CO on free Pd x O 2+(x= 4–6) clusters: size dependent comparison of combustion C Sahu, D Ghosh, AK Das RSC Advances 5 (53), 42329-42340, 2015 | 5 | 2015 |
Binding affinity of substituted ureido‐benzenesulfonamide ligands to the carbonic anhydrase receptor: A theoretical study of enzyme inhibition C Sahu, K Sen, S Pakhira, B Mondal, AK Das Journal of Computational Chemistry 34 (22), 1907-1916, 2013 | 5 | 2013 |
Decomposition of O, S-dimethyl methylphosphonothiolate by ammonia on magnesium oxide: a theoretical study of catalytic detoxification of a chemical warfare agent C Sahu, D Ghosh, K Sen, AK Das Physical Chemistry Chemical Physics 17 (31), 20231-20249, 2015 | 3 | 2015 |
Theoretical study of catalytic oxidation of CO on free PdₓO₂⁺(x= 4–6) clusters: size dependent comparison of combustion C Sahu, D Ghosh, AK Das | | 2015 |
Theoretical and computational study of properties and detoxification mechanisms of chemical warfare agents, toxic chemicals and enzyme inhibitors C Sahu | | |