| 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 | 67 | 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 | 39 | 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 | 22 | 2021 |
| 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 | 21 | 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 | 20 | 2022 |
| 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 | 16 | 2022 |
| 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 | 15 | 2021 |
| 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 | 13 | 2023 |
| 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 | 13 | 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 | 12 | 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 | 12 | 2022 |
| 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 | 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 |
| 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 | 8 | 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 | 5 | 2024 |
| 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 | 3 | 2023 |
| Study of L-tryptophan (a neurotransmitter precursor): spectral, Hirshfeld surface, molecular docking and dynamics simulations A Fatima, A Kumar, AKA Saral, S Muthu, M Afzal, N Haq, I Nazar, ... Zeitschrift für Physikalische Chemie, 2023 | 2 | 2023 |
| Electronic, intermolecular, quantum computational investigations, molecular docking and simulation studies of the potent antiviral drug EIDD-2801 RN Devi, P Pounraj, SB Kumar, A Saral, JK Vinnarasi, C Vivek, ... Journal of the Indian Chemical Society 100 (3), 100953, 2023 | 2 | 2023 |
| Experimental spectral investigations for structural, electronic, topological properties and molecular docking studies of 2-cyclohexylidene hydrazine carbaxamide RP Gangadharan, A Saral, RN Devi, A Irfan, S Muthu Journal of the Indian Chemical Society 100 (2), 100902, 2023 | 2 | 2023 |
| Spectroscopic, quantum mechanical investigation and molecular docking study of 2-amino-5-chloro-3-nitropyridine S Selvakumari, C Venkataraju, S Muthu, BR Raajaraman, P Sangeetha, ... Materials Today: Proceedings 50, 2711-2719, 2022 | 2 | 2022 |
Dr.S.MuthuAssistant professor in Physics, Arignar Anna Govt.Arts College,Cheyyar-604407,Tamilnadu,India
