| Electrophilicity index revisited R Pal, PK Chattaraj Journal of Computational Chemistry 44 (3), 278-297, 2023 | 64 | 2023 |
| Chemical reactivity from a conceptual density functional theory perspective R Pal, PK Chattaraj Journal of the Indian Chemical Society 98 (1), 100008, 2021 | 39 | 2021 |
| Activation of Small Molecules and Hydrogenation of CO2 Catalyzed by Frustrated Lewis Pairs R Pal, M Ghara, PK Chattaraj Catalysts 12 (2), 201, 2022 | 26 | 2022 |
| Determination of stable structure of a cluster using convolutional neural network and particle swarm optimization A Mitra, G Jana, R Pal, P Gaikwad, S Sural, PK Chattaraj Theoretical Chemistry Accounts 140, 1-12, 2021 | 20 | 2021 |
| Hydrophobicity versus electrophilicity: A new protocol toward quantitative structure–toxicity relationship R Pal, G Jana, S Sural, PK Chattaraj Chemical Biology & Drug Design 93 (6), 1083-1095, 2019 | 20 | 2019 |
| Atomic clusters: Structure, reactivity, bonding, and dynamics R Pal, A Poddar, PK Chattaraj Frontiers in Chemistry 9, 730548, 2021 | 18 | 2021 |
| Quantitative Structure - Toxicity Relationship: An “In Silico Study” using Electrophilicity and Hydrophobicity as Descriptors G Jana, R Pal, S Sural, PK Chattaraj Int. J. Quantum Chem., 2019 | 18 | 2019 |
| Frustrated Lewis pairs: bonding, reactivity, and applications M Ghara, H Mondal, R Pal, PK Chattaraj The Journal of Physical Chemistry A 127 (21), 4561-4582, 2023 | 17 | 2023 |
| Global optimization: A soft computing perspective R Pal, P Das, PK Chattaraj The Journal of Physical Chemistry Letters 14 (14), 3468-3482, 2023 | 11 | 2023 |
| Quantitative structure–toxicity relationship in bioactive molecules from a conceptual DFT perspective R Pal, SG Patra, PK Chattaraj Pharmaceuticals 15 (11), 1383, 2022 | 10 | 2022 |
| Quantitative structure-toxicity relationship models based on hydrophobicity and electrophilicity G Jana, R Pal, S Sural, PK Chattaraj Ecotoxicological QSARs, 2019 | 8 | 2019 |
| An in silico QSAR model study using electrophilicity as a possible descriptor against T. Brucei R Pal, G Pal, G Jana, PK Chattaraj International Journal of Chemoinformatics and Chemical Engineering (IJCCE) 8 …, 2019 | 7 | 2019 |
| Acidity and basicity R Pal, H Mondal, PK Chattaraj Exploring Chemical Concepts Through Theory and Computation, 251-284, 2024 | 6 | 2024 |
| Possible effects of fluxionality of a cavitand on its catalytic activity through confinement R Pal, PK Chattaraj Physical Chemistry Chemical Physics 23 (30), 15817-15834, 2021 | 6 | 2021 |
| Can a chemical bond be exclusively covalent or ionic? R Pal, SG Patra, PK Chattaraj Journal of Chemical Sciences 134 (4), 108, 2022 | 5 | 2022 |
| Ligand stabilized transient “MNC” and its influence on MNC→ MCN isomerization process: a computational study (M= Cu, Ag, and Au) R Pal, G Jana, PK Chattaraj Theoretical Chemistry Accounts 139, 1-16, 2020 | 5 | 2020 |
| A conceptual DFT and information-theoretic approach towards QSPR modeling in polychlorobiphenyls A Poddar, R Pal, C Rong, PK Chattaraj Journal of Mathematical Chemistry 61 (5), 1143-1164, 2023 | 4 | 2023 |
| On the periodicity of the information theory and conceptual DFT-based reactivity descriptors R Pal, A Poddar, PK Chattaraj The Journal of Physical Chemistry A 126 (39), 6801-6813, 2022 | 4 | 2022 |
| Aromatic clusters as potential hydrogen storage materials R Pal, PK Chattaraj Frontiers in Energy Research 9, 786967, 2021 | 4 | 2021 |
| Hydrogen storage in lithium adsorbed and polylithiated (OLi2) heteroatom (B, N) modified (2,2) γ-graphyne nanotube and its CO sensing potential: A computational study G Jana, R Pal, PK Chattaraj J. Indian Chem. Soc 95, 1457-1464, 2018 | 4 | 2018 |
Pratim Kumar ChattarajDistinguished Visiting Professor, Department of Chemistry, Birla Institute of Technology MesraПотвърден имейл адрес: bitmesra.ac.in
