| Exploring the antibacterial activity of 1, 2 diaminoethane hexanedionic acid by spectroscopic, electronic, ELF, LOL, RDG analysis and molecular docking studies using DFT method CD Vincy, JDD Tarika, XDD Dexlin, A Rathika, TJ Beaula Journal of Molecular Structure 1247, 131388, 2022 | 60 | 2022 |
| Synthesis and DFT computations on structural, electronic and vibrational spectra, RDG analysis and molecular docking of novel Anti COVID-19 molecule 3, 5 Dimethyl Pyrazolium 3 … XDD Dexlin, JDD Tarika, SM Kumar, A Mariappan, TJ Beaula Journal of Molecular Structure 1246, 131165, 2021 | 43 | 2021 |
| Tuning the computational evaluation of spectroscopic, ELF, LOL, NCI analysis and molecular docking of novel anti COVID-19 molecule 4-dimethylamino pyridinium 3, 5 … JDD Tarika, XDD Dexlin, S Madhankumar, DD Jayanthi, TJ Beaula Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 259, 119907, 2021 | 43 | 2021 |
| Computational insights on charge transfer and non-covalent interactions of antibacterial compound 4-dimethylaminopyridinium pyridine-2-carboxylate pentahydrate JDD Tarika, XDD Dexlin, A Rathika, DD Jayanthi, TJ Beaula Journal of Molecular Structure 1256, 132525, 2022 | 18 | 2022 |
| Synthesis, vibrational depictions, IRI interpretations and docking research on coordination metal complex Diaqua aspartato zinc (II) monohydrate using DFT approach XDD Dexlin, JDD Tarika, M Sethuram, TJ Beaula Journal of Molecular Liquids 351, 118687, 2022 | 14 | 2022 |
| Insights into weak and covalent interactions, reactivity sites and pharmacokinetic studies of 4-dimethylaminopyridinium salicylate monohydrate using quantum chemical … JDD Tarika, XDD Dexlin, DD Jayanthi, A Rathika, TJ Beaula Computational and Theoretical Chemistry 1206, 113483, 2021 | 13 | 2021 |
| Probing into the outcome of charge transfer interactions and hyperconjugative effect on the antibacterial molecule 4-dimethylaminopyridine using spectroscopic elucidations and … JDD Tarika, CL Shiny, XDD Dexlin, DD Jayanthi, S Antony, TJ Beaula Journal of Molecular Structure 1251, 132059, 2022 | 11 | 2022 |
| Effect of charge transfer and non-covalent interactions of the synthesized NLO compound p-nitrophenol sodium-bisulfate using DFT method CL Shiny, A Rathika, JDD Tarika, S Alen, TJ Beaula Polycyclic Aromatic Compounds 43 (5), 4621-4639, 2023 | 8 | 2023 |
| DFT Explorations on the spectral, non-covalent interactions and the invitro analysis of a synthesized anti-bacterial nanocomposite pure hydroxyapatite XDD Dexlin, A Mariappan, JDD Tarika, CL Shiny, TJ Beaula Journal of Molecular Structure 1264, 133270, 2022 | 3 | 2022 |
| Consequence of Proton Transfer and Hydrogen Bonding Interactions on the Molecular, Vibrational and Biological properties of the Novelly Synthesized Antibacterial Compound bis … JDD Tarika, A Rathika, XDD Dexlin, DD Jayanthi, TJ Beaula Journal of Molecular Structure 1261, 132914, 2022 | 3 | 2022 |
| Insights into Spectral Elucidations, Reactivity Sites, Invitro Assay, Molecular Docking and Pharmacokinetic Studies of Non-Covalently Bonded 4-Aminobenzoic Acid 4-Nitroaniline XDD Dexlin, JDD Tarika, SM Kumar, A Rathika, TJ Beaula Polycyclic Aromatic Compounds 44 (3), 1722-1744, 2024 | 2 | 2024 |
| Hypothetical confirmation for the anti-bacterial compound potassium succinate-succinic acid in comparison with certain succinate derivatives XDD Dexlin, JDD Tarika, AA Kumar, TJ Beaula Journal of Biomolecular Structure and Dynamics 42 (3), 1237-1248, 2024 | 2 | 2024 |
| Quantum Chemical Investigations on the Hydrogen-Bonded Interactions of Bioactive Molecule N2-(4-Methoxysalicylidene) Arginine Hemihydrate CD Vincy, JDD Tarika, M Sethuram, SJ Jenepha Mary, TJ Beaula Polycyclic Aromatic Compounds 43 (9), 7651-7672, 2023 | 2 | 2023 |
| Bioactive Small Molecule, Piperazinium Bis (4-Hydroxybenzenesulphonate) upon Spectral Investigation, Hirshfeld Surface Analysis, Molecular Docking and ADMET Prediction: A … CD Vincy, J George, JDD Tarika, S Balachandar, NK Shihab, TJ Beaula Polycyclic Aromatic Compounds 43 (10), 8729-8751, 2023 | 1 | 2023 |
| Impact of Protonation and Hydrogen Bonding Interactions on the Biological Properties of Antibacterial Compound 4-Dimethylaminopyridinium Salicylate Monohydrate: Correlation … JDD Tarika, XDD Dexlin, A Rathika, A Arun Kumar, DD Jayanthi, ... Polycyclic Aromatic Compounds 43 (7), 5892-5914, 2023 | 1 | 2023 |
| Quantum chemical exploration on charge transfer interactions, vibrational, topological and molecular docking evaluation of the antimicrobial molecule 2, 4, 6-triallyloxy-1, 3 … G Jeyanthi, CG Sambandam, CL Shiny, JDD Tarika, TJ Beaula Journal of Molecular Structure 1250, 131846, 2022 | 1 | 2022 |
| Ionic, charge transfer interactions, reactivity of the NLO molecule morpholinium perchlorate comparison with morpholinium derivatives using DFT method CL Shiny, AA Kumar, CD Vincy, XDD Dexlin, JDD Tarika, TJ Beaula Journal of Molecular Structure 1291, 135890, 2023 | | 2023 |
D.Deva JayanthiRani Anna Govt. Arts College for Women, Tirunelveli在 raniannagcw.edu.in 的电子邮件经过验证
