Publications |
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: Molecular
and Biomolecular Spectroscopy, 122(2014)661-669. (Impact Factor: 2.582)
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 Part A: Molecular and Biomolecular Spectroscopy,
126(2014)170-177. (Impact Factor: 2. 582)
3. Analysis of Vibrational Spectra and Molecular Study of Antimicrobial 4-Nitrophenol-
Urea,T.Joselin Beaula, M. Sethuram, M. Dhandapani, I.Hubert Joe, V.Bena Jothy, Journal of
Environmental Nanotechnology (Impact Factor: 0.601)
4. Chemical Computations and Vibrational Spectral Studies of 2, 3-PrazinedicarboxylicAcid T.
Joselin Beaula, I. Hubert Joe, V.K. Rastogi, V. Bena Jothy, Materials Today: Proceedings 2
(2015) 977 – 981, ISSN: 2214-7853
5. 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 Part A: Molecular and Biomolecular
Spectroscopy 138(2015)723-735. (Impact Factor: 2. 582)
6. 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, Journal of
Chemical Physics Letters, 624 (2015) 93-101(Impact Factor: 2.088)
7. Growth, Spectral, Thermal and Dielectric Properties of Triglycine Phosphate Non Linear
Optical Crystal, MR Meera, T Joselin Beaula, SL Rayar, V Bena Jothy, SOJ Materials
Science & Engineering, 2015.
8. Biological applications and spectroscopic investigations of 4-nitrophenol-urea dimer: A DFT
approach, T. Joselin Beaula, P Muthuraja, M Dhandapani, IH Joe, VK Rastogi, VB Jothy,
Chemical Physics Letters 645, 59-70, 2016 (Impact Factor: 2.088)
9. 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 (Impact Factor: 1.753)
10. Growth, Spectral, Thermal and Dielectric Properties of Triglycine Phosphate Non Linear
Optical Crystal, MR Meera, T Joselin Beaula, SL Rayar, V Bena Jothy, SOJ Materials Science
& Engineering, ISSN: 2372-0964
11. 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, Accepted Manuscript, Journal of Molecular Structure, (Impact Factor: 1.753).
12. Structural Properties of Bioactive Molecule Naphthalene 2-Sulfonic Acid, R Mini, T.Joselin
Beaula,, IH Joe, VB Jothy - Mechanics, Materials Science & Engineering Journal, 2017
Mechanics, Materials Science & Engineering Journal Impact Factor: 2.088)
13. 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
14. 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) Volume 6, Issue 1, January
(2018), ISSN: 2454-6410 (Impact Factor: 4.225)
15. Structural Properties of Bioactive Molecule Naphthalene 2-Sulfonic Acid, R Mini, T Joselin
Beaula, I Hubert Joe, V Bena Jothy, Mechanics, Materials Science & Engineering, April 2017
– ISSN 2412-5954
16. 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, Volume 1137, 5 June 2017, Pages 649-662(Impact Factor: 1.753)
17. 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, Volume 1146, 15 October 2017, Pages 723-734(Impact Factor: 1.753)
18. 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, November
2017, P. Muthuraja, T. Shanmugavadivu, T. Joselin Beaula, V. Bena Jothy, M. Dhandapani,
Chemical Physics Letters 691 (2018) 114–121 (Impact Factor: 2.088).
19. 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 (Impact Factor: 1.971)
20. 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, M,.P. Muthuraja, T. Joselin Beaula, M. Dhandapani, Journal of Physics and
Chemistry of Solids 129 (2019) 284–292 (Impact Factor: 2.059).
21. 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,
(Accepted Manuscript) (Impact Factor: 2.059).
22. 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 (Impact Factor: 1.753).
23. 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, Spectrochimica Acta Part
A 259, 2021, 119907; (Impact factor: 4.098).
24. 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, 5 Dichloro Salicylate, Journal of
Molecular Structure, X. D. Divya Dexlin , J. D. Deephlin Tarika,
S. Madhan Kumar, A. Mariappan, T. Joselin Beaula, Elsevier .
Impact factor 3.196.
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