Does confinement alter the ionization energy and electron affinity of atoms? R Jha, S Giri, PK Chattaraj The European Physical Journal D 75, 1-5, 2021 | 9 | 2021 |
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 |
Effect of confinement on the behavior of superhalogen and superalkali R Jha, S Giri, PK Chattaraj Computational and Theoretical Chemistry 1206, 113491, 2021 | 5 | 2021 |
Microsolvation of lithium–phosphorus double helix: A DFT study G Jana, R Jha, S Pan, PK Chattaraj Theoretical Chemistry Accounts 138, 1-10, 2019 | 3 | 2019 |
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 | 2 | 2023 |
Effect of confinement on the structure, stability and aromaticity of Be32− R Jha, PK Chattaraj Chemical Physics Letters 816, 140390, 2023 | 2 | 2023 |
Controlling Tunneling Oscillation and Quantum Localization in an Asymmetric Double-Well Potential: A Bohmian Perspective B Chakraborty, R Jha, S Kar, PK Chattaraj The Journal of Physical Chemistry A 126 (29), 4834-4847, 2022 | 1 | 2022 |
Possible catalytic activity of N, N-coordinated mono-cationic copper bound Pyrazol-1-yl (1H-pyrrol-2-yl) methanone complex: a computational study R Jha, G Jana, PK Chattaraj Proceedings of the Indian National Science Academy 88 (2), 172-185, 2022 | 1 | 2022 |
A Conceptual DFT Analysis of Mechanochemical Processes R Jha, SG Patra, D Chakraborty, PK Chattaraj Electron Density: Concepts, Computation and DFT Applications, 355-378, 2024 | | 2024 |
9 Effect of Confinement in R Jha, R Pal, PK Chattaraj Computational Studies: From Molecules to Materials, 158, 2024 | | 2024 |
Effect of confinement and external mechanical force on the cleavage of the bond in a diatomic molecule R Jha, PK Chattaraj Molecular Physics, e2200555, 2023 | | 2023 |
Principles of Catalysis R Jha, R Pal, D Chakraborty, PK Chattaraj Metal Phosphates and Phosphonates: Fundamental to Advanced Emerging …, 2023 | | 2023 |
Variation in the Properties of Chemical Systems under Confinement: A Computational Study R Jha IIT Kharagpur, 2023 | | 2023 |
Zintl cluster as a building block of superalkali, superhalogen, and superatom S Sinha, R Jha, S Das, S Giri Atomic Clusters with Unusual Structure, Bonding and Reactivity, 333-344, 2023 | | 2023 |
Effect of Confinement in Bonding and Catalysis R Jha, R Pal, PK Chattaraj Computational Studies, 158-167, 0 | | |