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
30 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
17 2013 Solvolysis of organophosphorus pesticide parathion with simple and 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 H2 O2 : 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
