| A computational investigation of the activation of allene (H2C= C= CHR; R= H, CH3, CN) by a frustrated phosphorous/boron Lewis pair H Mondal, M Ghara, PK Chattaraj Chemical Physics Letters 774, 138623, 2021 | 20 | 2021 |
| 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 | 14 | 2023 |
| Small molecule activation and dehydrogenation of an amine–borane system using frustrated Lewis pairs H Mondal, SG Patra, PK Chattaraj Structural Chemistry 33 (6), 1853-1865, 2022 | 12 | 2022 |
| Variation in electrophilicity on electronic excitation SG Patra, H Mondal, PK Chattaraj Journal of Physical Organic Chemistry 36 (12), e4359, 2023 | 8 | 2023 |
| Unveiling novel reactivity of P/Al frustrated Lewis pair: ring size-dependent activation of cyclic ethers/thioethers and CO2 insertion therein H Mondal, SG Patra, PK Chattaraj Journal of Chemical Sciences 134 (4), 119, 2022 | 8 | 2022 |
| Acidity and basicity R Pal, H Mondal, PK Chattaraj Exploring Chemical Concepts Through Theory and Computation, 251-284, 2024 | 6 | 2024 |
| Fischer and Schrock carbene complexes in the light of global and local electrophilicity‐based descriptors SG Patra, R Jha, H Mondal, PK Chattaraj Journal of Physical Organic Chemistry 36 (12), e4337, 2023 | 5 | 2023 |
| On the aromaticity of substituted benzene SG Patra, H Mondal, MJ Bhattacharjya, N Chetia, PK Chattaraj Theoretical Chemistry Accounts 142 (10), 91, 2023 | 3 | 2023 |
| CO2 reduction using aluminum hydride: Generation of in‐situ frustrated Lewis pairs and small molecule activation therein H Mondal, PK Chattaraj Journal of Computational Chemistry 45 (14), 1098-1111, 2024 | 2 | 2024 |
| Local reactivity descriptors of the important atoms in chelotropic reactions provide insight into their global variants along the reaction path J Sánchez‐Márquez, H Mondal, SG Patra, A Morales‐Bayuelo, ... International Journal of Quantum Chemistry 123 (15), e27129, 2023 | 2 | 2023 |
| H2 adsorption by noble gas insertion compounds: A computational study G Jana, H Mondal, PK Chattaraj Journal of the Indian Chemical Society 98 (5), 100060, 2021 | 2 | 2021 |
| Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron‐Based Frustrated Lewis Pairs H Mondal, PK Chattaraj ChemistryOpen 13 (4), e202300179, 2024 | 1 | 2024 |
| Theoretical understanding of mechanochemical (ball-milling) synthesis of thioethers: a CDFT approach R Jha, SG Patra, H Mondal, PK Chattaraj Journal of Mathematical Chemistry 61 (9), 1825-1841, 2023 | 1 | 2023 |
| Frustrated Lewis pair-mediated hydro-dehalogenation: crucial role of non-covalent interactions H Mondal, PK Chattaraj Journal of Molecular Modeling 30 (7), 1-13, 2024 | | 2024 |
| An in Silico Analysis of the Reactivity of Frustrated Lewis Pairs: Small Molecule Activation and Some Associated Reactions H Mondal IIT Kharagpur, 2024 | | 2024 |
