| Ab initio studies of effect of copper substitution on the electronic and magnetic properties of Ni 2 MnGa and Mn 2 NiGa A Chakrabarti, M Siewert, T Roy, K Mondal, A Banerjee, ME Gruner, ... Physical Review B 88 (17), 174116, 2013 | 49 | 2013 |
| Ab initio study of CO2 hydrogenation mechanisms on inverse ZnO/Cu catalysts T Reichenbach, K Mondal, M Jäger, T Vent-Schmidt, D Himmel, V Dybbert, ... Journal of catalysis 360, 168-174, 2018 | 39 | 2018 |
| Structural and Chemical Properties of Subnanometer-Sized Bimetallic Au19Pt Cluster K Mondal, A Banerjee, TK Ghanty The Journal of Physical Chemistry C 118 (22), 11935-11945, 2014 | 29 | 2014 |
| Significant modulation of CO adsorption on bimetallic Au< sub> 19</sub> Li cluster K Mondal, D Manna, TK Ghanty, A Banerjee Chemical Physics 428, 75–81, 2014 | 23 | 2014 |
| Effect of hydrogen atom doping on the structure and electronic properties of 20-atom gold cluster K Mondal, S Agrawal, D Manna, A Banerjee, TK Ghanty The Journal of Physical Chemistry C 120 (33), 18588-18594, 2016 | 17 | 2016 |
| Exfoliation of Ti2C and Ti3C2 Mxenes from Bulk Phases of Titanium Carbide: A Theoretical Prediction K Mondal, P Ghosh arXiv:1904.13159, 2019 | 14* | 2019 |
| Density functional investigation on the structures and properties of Li atom doped Au20 cluster K Mondal, TK Ghanty, A Banerjee, A Chakrabarti, C Kamal Molecular Physics 111 (6), 725-734, 2013 | 13 | 2013 |
| Adsorption and Activation of CO2 on Small-Sized Cu–Zr Bimetallic Clusters Megha, K Mondal, TK Ghanty, A Banerjee The Journal of Physical Chemistry A 125 (12), 2558-2572, 2021 | 10 | 2021 |
| CO Capture, Activation and Dissociation on TiC Surface and TiC MXene: Role of Surface Structure Aswathi Mohan T, Nishamol Kuriakose, Krishnakanta Mondal, Prasenjit Ghosh Physical Chemistry Chemical Physics,, 2020 | 9 | 2020 |
| Does enhanced oxygen activation always facilitate CO oxidation on gold clusters? Krishnakanta, Mondal, Arup, Banerjee, Alessandro, Fortunelli, Tapan, K., Ghanty Journal of Computational Chemistry 36, 2177–2187, 2015 | 9 | 2015 |
| Silicene: A Promising Surface to Achieve Morphology Transformation in Gold Clusters K Mondal, K Chinnathambi, A Banerjee, A Chakrabarti, TK Ghanty The Journal of Physical Chemistry C 119 (6), 3192–3198, 2015 | 9 | 2015 |
| Adsorption and activation of CO 2 on Zr n (n= 2–7) clusters Megha, K Mondal, A Banerjee, TK Ghanty Physical Chemistry Chemical Physics 22 (29), 16877-16886, 2020 | 6 | 2020 |
| A review on different types of the non steroidal anti-Inflammatory drugs (NSAIDs) I Hoque, A Chatterjee, S Bhattacharya, R Biswas, S Auddy, K Mondal Int J Adv Multidiscip Res 3 (9), 41-51, 2016 | 6 | 2016 |
| Remarkable Structural Effect on the Gold–Hydrogen Analogy in Hydrogen-Doped Gold Cluster Megha, C Kamal, K Mondal, TK Ghanty, A Banerjee The Journal of Physical Chemistry A 123 (10), 1973-1982, 2019 | 3 | 2019 |
| Topological Insulators: An In‐Depth Review of Their Use in Modelocked Fiber Lasers S Mondal, R Ganguly, K Mondal Annalen der Physik 533 (6), 2000564, 2021 | 2 | 2021 |
| Microscopic understanding of electrocatalytic reduction of CO2 on Pd-polyaniline composite: an ab initio study A Sahu, K Mondal, P Ghosh Journal of Molecular Modeling 24, 248, 2018 | 2 | 2018 |
| Dumbbell-Shaped Ternary Transition-Metal (Cu, Ni, Co) Phosphate Bundles: A Promising Catalyst for the Oxygen Evolution Reaction H Singh, R Biswas, I Ahmed, P Thakur, A Kundu, AR Panigrahi, ... ACS Applied Materials & Interfaces, 2022 | 1 | 2022 |
| Ab Initio Modeling of the ZnO-Cu (111) Interface K Mondal, Megha, A Banerjee, A Fortunelli, M Walter, M Moseler The Journal of Physical Chemistry C, 2021 | 1 | 2021 |
| Adsorption and Activation of CO2 on a Au19Pt Subnanometer Cluster in Aqueous Environment K Mondal, A Banerjee, A Fortunelli Computational and Theoretical Chemistry, 113701, 2022 | | 2022 |
Aparna ChakrabartiRaja Ramanna Centre for Advanced TechnologyVerified email at rrcat.gov.in
