| Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR, FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies MH Rahuman, S Muthu, BR Raajaraman, M Raja, H Umamahesvari Heliyon 6 (9), 2020 | 115 | 2020 |
| Spectroscopic and quantum computational study on naproxen sodium RS Saji, JC Prasana, S Muthu, J George, TK Kuruvilla, BR Raajaraman Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 226, 117614, 2020 | 76 | 2020 |
| Computational spectroscopic investigations on structural validation with IR and Raman experimental evidence, projection of ultraviolet-visible excitations, natural bond orbital … M Thirunavukkarasu, G Balaji, S Muthu, BR Raajaraman, P Ramesh Chemical Data Collections 31, 100622, 2021 | 63 | 2021 |
| Spectroscopic, quantum computational and molecular docking studies on 1-phenylcyclopentane carboxylic acid BR Raajaraman, NR Sheela, S Muthu Computational Biology and Chemistry 82, 44-56, 2019 | 42 | 2019 |
| Quantum computational, spectroscopic and molecular docking studies on 2-acetylthiophene and its bromination derivative MH Rahuman, S Muthu, BR Raajaraman, M Raja Journal of Molecular Structure 1212, 128129, 2020 | 35 | 2020 |
| Quantum computational, spectroscopic investigations on 6-aminobenzimidazole by DFT/TD-DFT with different solvents and molecular docking studies SJ Basha, SPV Chamundeeswari, S Muthu, BR Raajaraman Journal of Molecular Liquids 296, 111787, 2019 | 34 | 2019 |
| Investigation on 1-Acetyl-4-(4-hydroxyphenyl) piperazine an anti-fungal drug by spectroscopic, quantum chemical computations and molecular docking studies BR Raajaraman, NR Sheela, S Muthu Journal of Molecular Structure 1173, 583-595, 2018 | 33 | 2018 |
| Co-crystals of urea and hexanedioic acid with third-order nonlinear properties: an experimental and theoretical enquiry S Jeeva, S Muthu, R Thomas, BR Raajaraman, G Mani, G Vinitha Journal of Molecular Structure 1202, 127237, 2020 | 31 | 2020 |
| Electron acceptor, excitation energies, oscillatory strength, spectroscopic and solvent effects on 5-amino-4, 6-dichloro-2-(propylthio) pyrimidine-anticancer agent M Sumithra, N Sundaraganesan, R Rajesh, V Vetrivelan, V Ilangovan, ... Chemical Physics Impact 6, 100145, 2023 | 28 | 2023 |
| Effect of green solvents physical, chemical, biological and bonding nature on 5-acetyl-thiophene-2-carboxylic acid by DFT and TD-DFT approach–an antiviral agent M Sumithra, N Sundaraganesan, KV Prasad, R Rajesh, V Vetrivelan, ... Journal of the Indian Chemical Society 100 (2), 100867, 2023 | 23 | 2023 |
| Influence of acetyl, hydroxy and methyl functional groups on 2-phenylbutanoic acid by quantum computational, spectroscopic and ligand-protein docking studies BR Raajaraman, NR Sheela, S Muthu Journal of Molecular Structure 1188, 99-109, 2019 | 21 | 2019 |
| Quantum computational, spectroscopic and molecular docking investigations on 4-Acetylamino-benzoic acid methyl ester: A prospective anticancer drug MH Rahuman, S Muthu, BR Raajaraman, M Raja Chemical Data Collections 26, 100352, 2020 | 17 | 2020 |
| Quantum mechanical, spectroscopic vibrational analysis, NBO, HOMO-LUMO, and molecular docking studies on 2-Chloroquinoline-3-Carboxamide A Saral, P Sudha, S Muthu, BR Rajaraman, S Selvakumari, P Sangeetha Materials Today: Proceedings 50, 2655-2664, 2022 | 15 | 2022 |
| Vibrational spectroscopic, electronic influences, reactivity analysis and molecular docking studies of 2-Fluoro-4-iodo-5-methylpyridine S Selvakumari, C Venkataraju, S Muthu, P Sangeetha, R Rajesh Spectroscopy Letters 56 (1), 14-27, 2023 | 9 | 2023 |
| Investigation of spectroscopic (FT-IR, FT-Raman), reactive charge transfer and docking properties of (1S)-(+)-10-Camphorsulfonic acid by density functional method P Sangeetha, S Mullainathan, S Muthu, BR Rajaraman, A Saral, ... Materials Today: Proceedings 50, 2768-2776, 2022 | 9 | 2022 |
| Spectroscopic analysis of 2-amino-1-naphthalenesulfonic acid, molecular docking, and evaluation of the electronic properties of several solvents P Sangeetha, NS Alharbi, AS Kazachenko, S Muthu, R Rajesh Spectroscopy Letters 56 (6), 323-342, 2023 | 6 | 2023 |
| Electron density, charge transfer, solvent effect and molecular spectroscopic studies on 2, 2-Dimethyl-N-pyridin-4-yl-propionamide–A potential antioxidant M Sumithra, N Sundaraganesan, R Rajesh, V Ilangovan, A Irfan, S Muthu Computational and Theoretical Chemistry 1223, 114103, 2023 | 5 | 2023 |
| Effect of Amino, Chloro, and Methyl Functional Groups on 4-(4-Hydroxyphenyl) Piperazine by Density Functional Theory and Molecular Docking Studies R Rajesh, S Muthu, NR Sheela Polycyclic Aromatic Compounds 43 (8), 6785-6803, 2023 | 2 | 2023 |
| Investigations of 6-Fluoro-4-Oxo-3, 4-Dihydro-2H-Chromene-2-Carboxylic Acid by Quantum Computational, Spectroscopic, TD-DFT with Various Solvents and Molecular Docking Studies R Rajesh, S Muthu, NR Sheela Polycyclic Aromatic Compounds 43 (7), 6679-6696, 2023 | 2 | 2023 |
| Molecular structure, different solvents interaction, thermodynamic, electronic, topological, and chemical behaviors of cis-2, 6-dimethylpiperazin-anti depression agent S Gayathri, M Saravanakumar, R Rajesh, S Sakthivel, A Manikandan, ... Chemical Physics Impact 8, 100433, 2024 | 1 | 2024 |
