| Evaluation of electronic and biological interactions between N-[4-(Ethylsulfamoyl) phenyl] acetamide and some polar liquids (IEFPCM solvation model) with Fukui function and … G Bharathy, JC Prasana, S Muthu, A Irfan, FB Asif, A Saral, S Aayisha Journal of Molecular Liquids 340, 117271, 2021 | 72 | 2021 |
| Molecular structure spectroscopic Elucidation, IEFPCM solvation (UV–Vis, MEP, FMO, NBO, NLO), molecular docking and biological assessment studies of lepidine (4-Methylquinoline) A Saral, P Sudha, S Muthu, S Sevvanthi, A Irfan Journal of Molecular Liquids 345, 118249, 2022 | 49 | 2022 |
| Electronic properties of solvents (Water, Benzene, Ethanol) using IEFPCM model, spectroscopic exploration with drug likeness and assessment of molecular docking on 1 … P Sangeetha, S Mullainathan, L Rajasekaran, S Muthu, A Irfan, A Saral Journal of Molecular Liquids 344, 117719, 2021 | 22 | 2021 |
| Computational, spectroscopic and molecular docking investigation on a bioactive anti-cancer drug: 2-Methyl-8-nitro quinoline A Saral, P Sudha, S Muthu, A Irfan Journal of Molecular Structure 1247, 131414, 2022 | 21 | 2022 |
| Vibrational spectroscopy, quantum computational and molecular docking studies on 2-chloroquinoline-3-carboxaldehyde A Saral, P Sudha, S Muthu, S Sevvanthi, P Sangeetha, S Selvakumari Heliyon 7 (7), 2021 | 21 | 2021 |
| Solvent polarity, structural and electronic properties with different solvents and biological studies of 3, 3, 5-triphenylfuran-2 (3H)-one-cancers of the blood cells SC Parakkal, R Datta, A Saral, S Muthu, A Irfan, A Jeelani Journal of Molecular Liquids 368, 120674, 2022 | 19 | 2022 |
| Molecular structure, spectral, computational, IEFPCM investigation, and topological study on the biologically potent; cardiotonic drug 2-chloroquinolin-3-amine with structural … A Saral, R Shahidha, M Thirunavukkarasu, S Muthu Chemical Physics Impact 6, 100193, 2023 | 16 | 2023 |
| Evaluation of electronic properties in different solvents, spectroscopic exposition (FT-IR, FT-Raman), and molecular docking studies of 5-Chloro-2-hydroxypyridine-insulysin … S Selvakumari, C Venkataraju, S Muthu, A Irfan, A Saral Journal of Molecular Liquids 341, 117304, 2021 | 16 | 2021 |
| Molecular level solvent interaction (microscopic), electronic, covalent assembly (RDG, AIM & ELF), ADMET prediction and anti-cancer activity of 1-(4-Fluorophenyl)-1-propanone … M Thirunavukkarasu, P Prabakaran, A Saral, NS Alharbi, S Kadaikunnan, ... Journal of Molecular Liquids 380, 121714, 2023 | 15 | 2023 |
| Spectroscopic profiling, DFT computations, molecular docking and molecular dynamic simulation of biologically active 5-isoquinolinesulfonic acid A Saral, P Sudha, S Muthu, A Irfan Journal of Biomolecular Structure and Dynamics 41 (2), 722-735, 2023 | 15 | 2023 |
| Anti-microbial activity, molecular profiling, electronic properties and molecular docking investigations of 5–[1-hydroxy–2–(isopropylamino) ethyl] benzene–1, 3–diol S Chithra, G Mani, M Kumar, S Muthu, A Saral, FB Asif, A Irfan Journal of Molecular Structure 1247, 131299, 2022 | 15 | 2022 |
| 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 |
| Retarding of preliminary chemical pollutants from dye effluent by metal nano particles synthesized using flower extract of catharanthus roseus VAV Alagarsamy, K Andiyappan, SAK Avuliya, TA Abubacker Oriental Journal of Chemistry 34 (1), 381, 2018 | 14 | 2018 |
| Vibrational spectra, molecular level solvent interaction, stabilization, donor-acceptor energies, thermodynamic, non-covalent interaction and electronic behaviors of 6 … A Saral, A Manikandan, S Javed, S Muthu Chemical Physics Impact 8, 100392, 2024 | 11 | 2024 |
| 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 |
| Molecular docking and dynamic simulations of 2-phenoxyaniline and quantum computational, spectroscopic, DFT/TDDFT investigation of electronic states in various solvents M Kumar, S Ahmad, K Garima, A Ali, H Arora, S Muthu, A Saral, A Kumar, ... Chemical Physics Impact 7, 100307, 2023 | 7 | 2023 |
| Solute solvent interaction study on 9, 9-dihydroxynanoic acid by DFT, IR, Raman, UV, MEP, quantum parameters and docking studies M Lawrence, P Rajesh, A Saral, TC Jeyakumar, NS Alharbi, G Abbas, ... Journal of Molecular Liquids 397, 124053, 2024 | 3 | 2024 |
| Synthesis, structural and theoretical investigations on 3-diethyl 2-({4-[3-ethoxy-2-(ethoxycarbonyl)-3-oxo-2-phenylpropyl]-2, 5-dimethylphenyl} methyl)-2-phenylpropanedioate KM Sateesha, M Pasha, MB Patil, V Vetrivelan, A Saral, S Muthu, S Javed, ... Journal of the Indian Chemical Society 100 (2), 100869, 2023 | 3 | 2023 |
| Spectroscopic, quantum computational, molecular dynamic simulations, and molecular docking investigation of the biologically important compound-2, 6-diaminopyridine S Savita, A Fatima, P Bhattacharya, A Saral, N Haq, S Muthu, BL Sahu, ... Spectroscopy Letters, 1-19, 2024 | 2 | 2024 |
| Quantum computational, charge density, optical, molecular reactivity and thermodynamical analysis of Di-Halogen substituted nicotinic acid derivatives R Sravanthi, S Mahalakshmi, A Saral, NS Alharbi, S Muthu Computational and Theoretical Chemistry 1237, 114640, 2024 | 2 | 2024 |
Dr.S.MuthuAssistant professor in Physics, Arignar Anna Govt.Arts College,Cheyyar-604407,Tamilnadu,India