| Spectroscopic (FT-IR, Raman) analysis and computational study on conformational geometry, AIM and biological activity of cephalexin from DFT and molecular docking approach T Chaudhary, MK Chaudhary, BD Joshi, MSA de Santana, AP Ayala Journal of Molecular Structure 1240, 130594, 2021 | 19 | 2021 |
| Computational evaluation on molecular stability and binding affinity of methyldopa against Lysine-specific demethylase 4D Enzyme through quantum chemical computations and … T Chaudhary, T Karthick, MK Chaudhary, P Tandon, BD Joshi Journal of Molecular Structure 1286, 135518, 2023 | 8 | 2023 |
| The experimental and theoretical spectroscopic elucidation of molecular structure, electronic properties, thermal analysis, biological evaluation, and molecular docking studies … T Chaudhary, MK Chaudhary, S Jain, P Tandon, BD Joshi Journal of Molecular Liquids 391, 123212, 2023 | 4 | 2023 |
| Topological and reactivity descriptor of carisoprodol from DFT and molecular docking approach T Chaudhary, MK Chaudhary, BD Joshi Journal of Institute of Science and Technology 26 (1), 74-82, 2021 | 4 | 2021 |
| Simulated spectra (IR and Raman), NLO, AIM and molecular docking of carisoprodol from DFT approach MK Chaudhary, T Chaudhary, BD Joshi Bibechana 18 (1), 48-57, 2021 | 4 | 2021 |
| A Theoretical Study on Charge Transfer and Hyperpolarizability of (S)-2-amino-3-(3, 4-dihydroxyphenyl)-2-methyl-propanoic Acid T Chaudhary, MK Chaudhary, BD Joshi Journal of Nepal Physical Society 8 (1), 16-21, 2022 | 2 | 2022 |
| Electronic, thermodynamic properties, nonlinear optical responses, and molecular docking studies on cephalexin T Chaudhary, BD Joshi Journal of Institute of Science and Technology 27 (1), 83-92, 2022 | 2 | 2022 |
| Theoretical study on molecular stability, reactivity, and drug potential of cirsilineol from DFT and molecular docking methods TR Paneru, MK Chaudhary, P Tandon, T Chaudhary, BD Joshi Chemical Physics Impact 8, 100641, 2024 | | 2024 |
