• 1. FT IR, FT-Raman Spectra and Chemical Computations of Herbicide 2-Phenoxy Propionic Acid - A DFT approach, T. Joselin Beaula, C. James, Spectrochimica Acta Part A, 122(2014)661-669. Elsevier Q2, IF: 4.3
• 2. Vibrational spectroscopic studies and DFT computation of the nonlinear optical molecule L‑Valinium formate, T. Joselin Beaula, D. Manimaran, I. Hubert Joe, V.K. Rastogi, V. Bena Jothy, Spectrochimica Acta A, 126(2014)170-177. Elsevier Q2, IF: 4.3
• 3. Chemical Computations and Vibrational Spectral Studies of 2,3-Prazinedicarboxylic Acid, T. Joselin Beaula, I. Hubert Joe, V.K. Rastogi, V. Bena Jothy, Materials Today: Proceedings 2 (2015) 977-981.
• 4. Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid, T. Joselin Beaula, A. Packiavathi, D. Manimaran, I. Hubert Joe, V.K. Rastogi, V. Bena Jothy, Spectrochimica Acta A 138(2015)723-735. Elsevier Q2, IF: 4.3
• 5. Spectral Investigations, DFT Computations and molecular docking studies of the antimicrobial 5‑Nitroisatin dimer, T. Joselin Beaula, I. Hubert Joe, V. K. Rastogi, V. Bena Jothy, Chemical Physics Letters 624 (2015) 93-101. Elsevier Q2, IF: 2.8
• 6. Biological applications and spectroscopic investigations of 4‑nitrophenol‑urea dimer: A DFT approach, T. Joselin Beaula, P. Muthuraja, M. Dhandapani, I.H. Joe, V.K. Rastogi, V.B. Jothy, Chemical Physics Letters 645 (2016) 59-70. Elsevier Q2, IF: 2.8
• 7. Biological and spectral studies of O‑Tolyl Biguanide: Experimental and theoretical approach, T. Joselin Beaula, P. Muthuraja, M. Sethuram, M. Dhandapani, V.K. Rastogi, V. Bena Jothy, Journal of Molecular Structure 1128 (2017) 290-299. Elsevier Q2, IF: 4.0
• 8. Growth, Spectral, Thermal and Dielectric Properties of Triglycine Phosphate Nonlinear Optical Crystal, M.R. Meera, T. Joselin Beaula, S.L. Rayar, V. Bena Jothy, SOJ Materials Science & Engineering 2015, ISSN: 2372-0964.
• 9. Twisted Intra-molecular Charge Transfer investigations of Semiorganic Triglycine phosphate single crystal for Non Linear Optical Applications, M.R. Meera, T. Joselin Beaula, S.L. Rayar, V. Bena Jothy, Journal of Molecular Structure 1144 (2017) 457-465. Elsevier Q2, IF: 4.0
• 10. Effect of Hydrochloric Acid (HCl) on Synthesis, Spectral and Thermal Properties of Triglycine Phosphate (TGP) Single Crystals, M.R. Meera, T. Joselin Beaula, S.L. Rayar, V. Bena Jothy, International Journal of Current Research and Review 9(8) 2017.
• 11. Qualitative Chemical Analysis with Novel Structural Interpretations of Kyselina 2‑Naftalensulfonova, R. Mini, Joselin Beaula, V. Bena Jothy, International Journal of Emerging Technologies in Engineering Research (IJETER) 6(1) Jan 2018, ISSN: 2454-6410.
• 12. Structural Properties of Bioactive Molecule Naphthalene 2‑Sulfonic Acid, R Mini, T. Joselin Beaula, I. Hubert Joe, V. Bena Jothy, Mechanics, Materials Science & Engineering 2017, ISSN 2412-5954.
• 13. Hydrogen bonded R₂(8) graph set in inducing charge transfer mechanism in guanidinium‑3,5‑dinitrobenzoate: A combined experimental, theoretical and Hirshfeld surface study, P. Muthuraja, T. Joselin Beaula, T. Shanmugavadivu, V. Bena Jothy, M. Dhandapani, Journal of Molecular Structure 1137 (2017) 649-662. Elsevier Q2, IF: 4.0
• 14. Hydrogen bonding interactions and supramolecular assemblies in 2‑amino guanidinium 4‑methyl benzene sulphonate crystal structure: Hirshfeld surfaces and computational calculations, P. Muthuraja, T. Joselin Beaula, S. Balachandara, V. Bena Jothy, M. Dhandapani, Journal of Molecular Structure 1146 (2017) 723-734. Elsevier Q2, IF: 4.0
• 15. Influence of intramolecular hydrogen bonding interaction on the molecular properties of N‑p‑tolyl‑5‑oxo pyrrolidine‑3‑carboxylic acid: A theoretical and experimental study, P. Muthuraja, T. Shanmugavadivu, T. Joselin Beaula, V. Bena Jothy, M. Dhandapani, Chemical Physics Letters 691 (2018) 114-121. Elsevier Q2, IF: 2.8
• 16. Hydrogen bonding interactions in 1H‑1,2,3‑triazole based organic crystals: experimental and theoretical analysis, P. Muthuraja, T. Joselin Beaula, M. Sethuram, V. Bena Jothy, M. Dhandapani, Current Applied Physics 18 (2018) 774-784. Elsevier Q2, IF: 2.4
• 17. Effect of charge transfer with spectral analysis on the antibacterial compound 4‑(Dimethyl amino) pyridine: 3,5‑Dinitrobenzoic acid: Experimental and theoretical perspective, T. Joselin Beaula, P. Muthuraja, M. Dhandapani, V. Bena Jothy, Journal of Molecular Structure 1171 (2018) 511-526. Elsevier Q2, IF: 4.0
• 18. Supramolecular interactions in itaconic acid: 2‑amino‑4,6‑dimethyl pyrimidine molecular adduct – Physico chemical characterization and quantum chemical calculations, Aparna V.S., V. Bena Jothy, P. Muthuraja, T. Joselin Beaula, M. Dhandapani, Journal of Physics and Chemistry of Solids 129 (2019) 284-292. Elsevier Q2, IF: 4.3
• 19. Quantum chemical calculations, structural, spectral and nonlinear optical investigations of a novel crystal N,N′‑diphenylguanidinium 3,5‑dichlorobenzoate, T. Shanmugavadivu, M. Dhandapani, G. Vinitha, T. Joselin Beaula, Journal of Physics and Chemistry of Solids (2019) ISSN: 0022-3697. Elsevier Q2, IF: 4.3
• 20. Structural, spectral and bioactivity scores of 5,6 Dimethyl 1‑Hbenzotriazole monohydrate: experimental and DFT study, R. Mini, T. Joselin Beaula, P. Muthuraja, V. Bena Jothy, International Journal of Biosciences (IJB) 15(5) 2019, p. 548-561.
• 21. Experimental and theoretical investigations of a proton transfer supramolecular adduct, aminoguanidinium p‑nitrophenolate: p‑nitrophenol, T. Shanmugavadivu, M. Dhandapani, T. Joselin Beaula, Journal of Molecular Structure 1178 (2019) 192-200. Elsevier Q2, IF: 4.0
• 22. A Comprehensive study in the quantum chemical computation of 3,5‑Dichlorosalicylic Acid 4‑Dimethylamino pyridine, Tarika JDD, Jayanthi DD, Kumar SM, Jothy VB & Beaula TJ 2020, Studies in Indian place names 40(18) pp.808-817, ISSN:2394-3114.
• 23. Synthesis and structural investigations on 3,5‑Dichlorosalicylic Acid 3,5 Dimethyl Pyrazole, Divya XDD, Kumar SM, Jothy VB & Beaula TJ, 2020, Studies in Indian place names 40(18) pp.799-807, ISSN:2394-3114. IF: 6.1
• 24. Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID‑19 Molecule 4‑Dimethylamino Pyridinium 3,5‑Dichlorosalicylate, J.D. Deephlin Tarika, X.D. Divya Dexlin, S. Madhankumar, D. Deva Jayanthi, T. Joselin Beaula, Spectrochimica Acta Part A 259 (2021) 119907. Elsevier Q2, IF: 4.3
• 25. Insights into Weak and Covalent Interactions, Reactivity sites and Pharmacokinetic Studies of 4‑Dimethylaminopyridinium Salicylate Monohydrate using Quantum Chemical Computation method, Tarika JDD, Dexlin XDD, Arunkumar A, Jayanthi DD, Rathika A & Beaula TJ, 2021, Computational and Theoretical Chemistry 1206, pp.113483. Elsevier Q2, IF: 3.0
• 26. Synthesis and DFT computations on structural, electronic and vibrational spectra, RDG analysis and molecular docking of novel Anti COVID‑19 molecule 3,5‑Dimethylpyrazolium 3,5‑Dichloro Salicylate, Dexlin XDD, Tarika JDD, Kumar SM, Mariappan A & T. Joselin Beaula, 2021, Journal of Molecular Structure 1246, pp.131165. Elsevier Q2, IF: 4.0
• 27. Exploration of structural insights, spectroscopic assignments of 4‑amino‑6‑methyl‑3‑thioxo‑3,4‑dihydro‑1,2,4‑triazin‑5(2H)‑one, Jeyanthi G, Karthick T, Beaula TJ, B Narayana, Sambandam CG, 2021, Journal of Molecular Structure 1249, pp.131559. Elsevier Q2, IF: 4.0
• 28. Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID‑19 Molecule 4‑Dimethylaminopyridinium 3,5‑Dichlorosalicylate, Tarika JDD, Dexlin XDD, Kumar SM, Jayanthi DD & Beaula TJ 2021, Spectrochimica Acta Part A 259, pp.1119907. Elsevier Q2, IF: 4.3
• 29. Consequence of Proton Transfer and Hydrogen Bonding Interactions on the Molecular, Vibrational and Biological Properties of the Novelly Synthesized Antibacterial Compound bis‑(4‑Dimethylaminopyridinium) bis‑(3,5‑Dinitrobenzoate) Monohydrate using DFT Study, Tarika JDD, Rathika A, Arunkumar A, Dexlin XDD, Jayanthi DD, & Beaula TJ 2022, Journal of Molecular Structure 1256, pp.132914. Elsevier Q2, IF: 4.0
• 30. Synthesis, vibrational Depictions, IRI interpretations and docking research on coordination metal complex Diaqua aspartato zinc (II) monohydrate using DFT approach, Dexlin XDD, Tarika JDD, Sethuram M & T. Joselin Beaula, 2022, Journal of Molecular Liquids, ISSN: 0167-7322. Elsevier Q1, IF: 6.16
• 31. Computational Insights on Charge Transfer and Non‑Covalent Interactions of Antibacterial Compound 4‑Dimethylaminopyridinium Pyridine‑2‑Carboxylate Penta hydrate, Tarika JDD, Dexlin XDD, Arunkumar, Rathika A, Jayanthi DD, & Beaula TJ 2022, Journal of Molecular Structure 1256, pp.132525. Elsevier Q2, IF: 4.0
• 32. Probing into the Outcome of Charge Transfer Interactions and Hyperconjugative Effect on the Antibacterial Molecule 4‑dimethylaminopyridine using Spectroscopic Elucidations and DFT Calculations, Tarika JDD, Shiny CL, Dexlin XDD, Jayanthi DD, Antony S & Beaula TJ 2022, Journal of Molecular Structure 1251, pp.132059. Elsevier Q2, IF: 4.0
• 33. Quantum chemical exploration on charge transfer interactions, vibrational, topological and molecular docking evaluation of the antimicrobial molecule 2,4,6‑triallyloxy‑1,3,5‑triazine, Jeyanthi G, Sambandam CG, Shiny CL, Tarika JDD & Beaula TJ 2022, Journal of Molecular Structure 1250, pp.131846. Elsevier Q2, IF: 4.0
• 34. Exploring the antibacterial activity of 1,2‑diaminoethane hexanedionic acid by spectroscopic, electronic, ELF, LOL, RDG analysis and molecular docking studies using DFT method, Vincy CD, Tarika JDD, Dexlin XDD, Rathika A & Joselin Beaula T 2022, Journal of Molecular Structure 1247, pp.131388. Elsevier Q2, IF: 4.0
• 35. DFT Explorations on the spectral, non‑covalent interactions and the invitro analysis of a synthesized anti‑bacterial nanocomposite pure hydroxyapatite, X.D. Divya Dexlin, A. Mariappan, J.D. Deephlin Tarika, C.L. Shiny and T. Joselin Beaula, Journal of Molecular Structure 1264, pp.133270. Elsevier Q2, IF: 4.0
• 36. Effect of Charge Transfer and Non‑Covalent Interactions of the synthesized NLO compound p‑nitrophenol sodium‑bisulfate using DFT method, C.L. Shiny, A. Rathika, J.D. Deephlin Tarika, S. Alen & T. Joselin Beaula, Polycyclic Aromatic Compounds (2022) Taylor & Francis Q2, IF: 2.4
• 37. Impact of Protonation and Hydrogen Bonding Interactions on the Biological Properties of Antibacterial Compound 4‑Dimethylaminopyridinium Salicylate Monohydrate: Correlation with Its Precursor Molecules, J. D. Deephlin Tarika, X. D. Divya Dexlin, A. Rathika, A. Arun kumar, D. Deva Jayanthi & T. Joselin Beaula, Polycyclic Aromatic Compounds (2022) Taylor & Francis Q2, IF: 2.4
• 38. Quantum Chemical Investigations on the Hydrogen‑Bonded Interactions of Bioactive Molecule N2‑(4‑Methoxysalicylidene) Arginine Hemihydrate, C. Dabora Vincy, J. D. Deephlin Tarika, M. Sethuram, S. J. Jenepha Mary & T. Joselin Beaula, Polycyclic Aromatic Compounds (2022) Taylor & Francis Q2, IF: 2.4
• 39. Bioactive Small Molecule, Piperazinium Bis(4‑Hydroxybenzenesulphonate) upon Spectral Investigation, Hirshfeld Surface Analysis, Molecular Docking and ADMET Prediction: A Complement DFT Calculations, C. Dabora Vincy, Jesby George, J. D. Deephlin Tarika, S. Balachandar, N. K. Shihab & T. Joselin Beaula, Polycyclic Aromatic Compounds Taylor & Francis Q2, IF: 2.4
• 40. Quantum Chemical Insights into Structural, Vibrational, Charge Transfer Excitation and NLO activity of Lithium Fumerate Dimer, Shiny CL, Beaula TJ & Arunkumar A 2022, Neuroquantology 20(13) pp.3473-3490, ISSN:1303-5150, IF:1.58.
• 41. Growth, Characterization and Chemical Computations Of Guanidinium Trichloroacetate (GTCA) Single Crystal – DFT APPROACH, R. Sreedevi, A.S.I. Joy Sinthiya, T. Joselin Beaula, T. Balu and P. Murugakoothan, Bull. Chem. Soc. Ethiop. 2023, 37(4), 1033-1045. Chemical Society of Ethiopia
• 42. Spectral Elucidations and Molecular Docking Analysis of Hydrogen Bonded Coordination Metal Complex Cadmium Nicotinate Using DFT Method, CD Vincy, LP Nair, CL Shiny, XDD Dexlin, Joselin Beaula T, Polycyclic Aromatic Compounds 2023, 2244629. Taylor & Francis Q2, IF: 2.4
• 43. 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, Joselin Beaula T, Polycyclic Aromatic Compounds 2023, 2205152. Taylor & Francis Q2, IF: 2.4
• 44. Impact of Protonation and Hydrogen Bonding Interactions on the Biological Properties of Antibacterial Compound 4‑Dimethylaminopyridinium Salicylate Monohydrate: Correlation with Its Precursor Molecules, Joselin Beaula T., Polycyclic Aromatic Compounds 2022, 1-23. Taylor & Francis Q2, IF: 2.4
• 45. 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, T. Joselin Beaula, Journal of Molecular Structure 1291 (2023) 135890. Elsevier Q2, IF: 4.0
• 46. Hypothetical confirmation for the anti‑bacterial compound potassium succinate‑succinic acid in comparison with certain succinate derivatives, XDD Dexlin, JDD Tarika, AA Kumar, Joselin Beaula T, Journal of Biomolecular Structure and Dynamics 2023, 2199078. Taylor & Francis Q1, IF: 4.4
• 47. Investigation on the growth, structure and physical properties of pyridin-1-ium-2-carboxylate benzimidazole (1:1) hydrate single crystal, S Sivapriya, R Subramaniyan Raja, A. Arun Kumar, K Balasubramanian, T Joselin Beaula, G Padmasree, Journal of Materials Science: Materials in Electronics 34(11) 2023, 1-12. Springer Q1, IF: 2.8
• 48. Growth, characterization and chemical computations of guanidinium trichloroacetate (GTCA) single crystal‑‑DFT approach, R Sreedevi, ASIJ Sinthiya, T Joselin Beaula, T Balu, P Murugakoothan, Bulletin of the Chemical Society of Ethiopia 37(4) 2023, 1033-1045.
• 49. Synthesis, Physiochemical Characterization and Biological Investigation with Quantum Chemical Computations of Benzotriazole Salicylate, AA Kumar, Suja R, Rathika A, Joselin Beaula T, Polycyclic Aromatic Compounds 2023. Taylor & Francis Q2, IF: 2.4
• 50. Study of different interactions in piperazine benzoate and its effect on biological properties: Experimental and theoretical approach, R Suja, A Rathika, T. Joselin Beaula, Journal of Molecular Structure 1299 (2024) 137150. Elsevier Q2, IF: 4.0
• 51. Analysis on the charge transfer and intermolecular interaction of the synthesized biological molecule bis(benzimidazolium) maleate: a comprehensive DFT approach, Vincy C.D., Sankar G.B., Bemina R.S., Joselin Beaula T et al., Structural Chemistry (2025). Springer Q3, IF: 2.2
• 52. Unveiling the influence of different solvents in interactions and spectral aspects on the drug metabolism of 3‑hydroxy-2-(3-nitrophenyl) 4H-chromen-4-one by experimental and quantum chemical calculations, R.S. Bemina, T. Joselin Beaula, P. Pandi, A. Mariappan, Journal of Molecular Structure 1343 (2025) 142713. Elsevier Q2, IF: 4.0
• 53. Scrutiny and progress of optical activity using crystallographic, spectroscopic and topological analysis of potassium hydrogen phthalate malonic acid – A DFT approach, Reshma J.S., Beaula T.J., Bemina R.S., et al., J Mater Sci: Mater Electron 36 (2025) 1133. Springer Q2, IF: 4.0
• 54. Insight into Structural, Spectral and Biological Description of Aluminium Nitrate Glutaric Acid: DFT Approach, Reshma J. S., Joselin Beaula T., R. S. Bemina, S. R. Gibin, International Journal of Environmental Sciences 11(21s) 2025, pp.1290-1300, Scopus.
• 55. Photocatalytic activity, optical, DFT and Spectral (FT‑IR, FT‑Raman and UV‑Visible) Appraisal on Novel Copper Chloride Modified 3-hydroxy-2-(3-nitrophenyl)-4H-chromen-4-one‑TiO₂ Nanoparticles, R. S. Bemina, Joselin Beaula, International Journal of Environmental Sciences July 2025 Vol.11, 1309-1324; Research on Chemical Intermediates 51(4):2027-2048.
• 56. Unveiling the influence of different solvents in interactions and Spectral Aspects on the drug metabolism of 3‑Hydroxy-2-(3-nitrophenyl) 4H-chromen-4-one by experimental and quantum chemical calculations, R. S. Bemina, Joselin Beaula, Journal of Molecular Structure 22 May 2025 Vol.1343, 142713. Elsevier Q2, IF: 4.0

M.Phil Guidance: 10 scholars

Ph.D Scholars (under guidance)