| Coronavirus (COVID-19): ARIMA-based time-series analysis to forecast near future and the effect of school reopening in India H Tandon, P Ranjan, T Chakraborty, V Suhag Journal of Health Management 24 (3), 373-388, 2022 | 127 | 2022 |
| Computation of the atomic radii through the conjoint action of the effective nuclear charge and the ionization energy T Chakraborty, K Gazi, DC Ghosh Molecular Physics 108 (16), 2081-2092, 2010 | 85 | 2010 |
| Gordy’s electrostatic scale of electronegativity revisited DC Ghosh, T Chakraborty Journal of Molecular Structure: THEOCHEM 906 (1-3), 87-93, 2009 | 63 | 2009 |
| A brief review on importance of DFT in drug design H Tandon, T Chakraborty, V Suhag Res. Med. Eng. Sci 7 (4), 791-795, 2019 | 47 | 2019 |
| Molecular electrophilicity index-A promising descriptor for predicting toxicological property A Shalini, H Tandon, T Chakraborty J Bioequiv Availab 9, 518-527, 2017 | 44 | 2017 |
| A theoretical analysis of bi-metallic (Cu–Ag) nano alloy clusters invoking DFT based descriptors P Ranjan, S Dhail, S Venigalla, A Kumar, L Ledwani, T Chakraborty Materials Science-Poland 33 (4), 719-724, 2015 | 43* | 2015 |
| Asymmetrical C–C coupling for electroreduction of CO on bimetallic Cu–Pd catalysts H Shen, Y Wang, T Chakraborty, G Zhou, C Wang, X Fu, Y Wang, J Zhang, ... ACS Catalysis 12 (9), 5275-5283, 2022 | 41 | 2022 |
| A study of structure and electronic properties of chalcopyrites semiconductor invoking Density Functional Theory P Ranjan, P Kumar, T Chakraborty, M Sharma, S Sharma Materials Chemistry and Physics 241, 122346, 2020 | 39 | 2020 |
| The wave mechanical evaluation of the absolute radii of atoms DC Ghosh, R Biswas, T Chakraborty, N Islam, SK Rajak Journal of Molecular Structure: THEOCHEM 865 (1-3), 60-67, 2008 | 39 | 2008 |
| THEORETICAL STUDY OF BI-METALLIC AgmAun;(m+n=2-8) NANO ALLOY CLUSTERS IN TERMS OF DFT BASED DESCRIPTORS. P Ranjan, S Venigalla, A Kumar, T Chakraborty New Frontiers in Chemistry 23 (2), 2014 | 33 | 2014 |
| A new scale of the electrophilicity index invoking the force concept and its application in computing the internuclear bond distance H Tandon, T Chakraborty, V Suhag Journal of Structural Chemistry 60, 1725-1734, 2019 | 32 | 2019 |
| Theoretical analysis: electronic and optical properties of gold-silicon nanoalloy clusters P Ranjan, A Kumar, T Chakraborty Materials Today: Proceedings 3 (6), 1563-1568, 2016 | 31 | 2016 |
| Polarizability: a promising descriptor to study chemical–biological interactions H Tandon, P Ranjan, T Chakraborty, V Suhag Molecular Diversity 25, 249-262, 2021 | 29 | 2021 |
| A concise review on the significance of QSAR in drug design H Tandon, T Chakraborty, V Suhag Chemical and Biomolecular Engineering 4 (4), 45-51, 2019 | 27 | 2019 |
| Density Functional Approach: To Study Copper Sulfide Nanoalloy Clusters. P Ranjan, T Chakraborty Acta Chimica Slovenica 66 (1), 2019 | 26 | 2019 |
| Computational study of AuSin (n= 1-9) nanoalloy clusters invoking DFT based descriptors P Ranjan, A Kumar, T Chakraborty AIP Conference Proceedings 1724 (1), 2016 | 26 | 2016 |
| The electronegativity scale of Allred and Rochow: revisited DC Ghosh, T Chakraborty, B Mandal Theoretical Chemistry Accounts 124, 295-301, 2009 | 25 | 2009 |
| Structure, electronic and optical properties of chalcopyrite semiconductor AgTiX2 (X= S, Se, Te): A density functional theory study P Ranjan, P Kumar, PK Surolia, T Chakraborty Thin Solid Films 717, 138469, 2021 | 24 | 2021 |
| A new scale of atomic static dipole polarizability invoking other periodic descriptors H Tandon, T Chakraborty, V Suhag Journal of Mathematical Chemistry 57, 2142-2153, 2019 | 24 | 2019 |
| Computational study about cytotoxicity of metal oxide nanoparticles invoking nano-QSAR S Venigalla, D Dhail, P Ranjan, S Jain, T Chakraborty New Front. Chem 23, 123-130, 2013 | 24 | 2013 |
