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T. Joselin Beaula

Observed names: Beaula, T. Joselin, T Joselin Beaula, T. Joselin Beaula
ORCID: 0000-0002-4067-1007
Observed ORCID: 0000-0002-4067-1007
OpenAlex ID: A5082593026
Exploring the antibacterial activity of 1, 2 diaminoethane hexanedionic acid by spectroscopic, electronic, ELF, LOL, RDG analysis and molecular docking studies using DFT method
2021 · C. Dabora Vincy, J.D. Deephlin Tarika, et al. · Journal of Molecular Structure · 105
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
2021 · X.D. Divya Dexlin, J.D. Deephlin Tarika, et al. · Journal of Molecular Structure · 89
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
2021 · J.D. Deephlin Tarika, X.D. Divya Dexlin, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 89
Spectral investigations, DFT computations and molecular docking studies of the antimicrobial 5-nitroisatin dimer
2015 · T. Joselin Beaula, I. Hubert Joe, et al. · Chemical Physics Letters · 65
Hydrogen bonded R22(8) graph set in inducing charge transfer mechanism in guanidinium-3,5-dinitrobenzoate: A combined experimental, theoretical and Hirshfeld surface study
2017 · P. Muthuraja, T. Joselin Beaula, et al. · Journal of Molecular Structure · 47
Biological and spectral studies of O-Tolyl Biguanide: Experimental and theoretical approach
2016 · T. Joselin Beaula, P. Muthuraja, et al. · Journal of Molecular Structure · 40
Hydrogen bonding interactions and supramolecular assemblies in 2-amino guanidinium 4-methyl benzene sulphonate crystal structure: Hirshfeld surfaces and computational calculations
2017 · P. Muthuraja, T. Joselin Beaula, et al. · Journal of Molecular Structure · 36
FT IR, FT-Raman spectra and chemical computations of herbicide 2-phenoxy propionic acid – A DFT approach
2013 · T. Joselin Beaula, C. James · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 31
Computational Insights On Charge Transfer and Non-covalent Interactions of Antibacterial Compound 4-dimethylaminopyridinium pyridine-2-carboxylate pentahydrate
2022 · J.D. Deephlin Tarika, X.D. Divya Dexlin, et al. · Journal of Molecular Structure · 30
Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid
2014 · T. Joselin Beaula, A. Packiavathi, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 26
Synthesis, vibrational Depictions, IRI interpretations and docking research on coordination metal complex Diaqua aspartato zinc (II) monohydrate using DFT approach
2022 · X.D. Divya Dexlin, J.D. Deephlin Tarika, et al. · Journal of Molecular Liquids · 25
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
2017 · P. Muthuraja, T. Shanmugavadivu, et al. · Chemical Physics Letters · 25
Quantum chemical calculations, structural, spectral and nonlinear optical investigations of a novel crystal N,N ′-diphenylguanidinium 3,5-dichlorobenzoate
2019 · T. Shanmugavadivu, M. Dhandapani, et al. · Journal of Physics and Chemistry of Solids · 24
Effect of charge transfer with spectral analysis on the antibacterial compound 4-(Dimethyl amino) pyridine: 3,5-Dinitrobenzoic acid: Experimental and theoretical perspective
2018 · T. Joselin Beaula, P. Muthuraja, et al. · Journal of Molecular Structure · 24
Vibrational spectroscopic studies and DFT computation of the nonlinear optical molecule L-Valinium formate
2014 · T. Joselin Beaula, D. Manimaran, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 22
Insights into Weak and Covalent Interactions, Reactivity sites and Pharmacokinetic Studies of 4-Dimethylaminopyridinium Salicylate Monohydrate using Quantum Chemical Computation method
2021 · J.D. Deephlin Tarika, X.D. Divya Dexlin, et al. · Computational and Theoretical Chemistry · 19
Hydrogen bonding interactions on 1H-1,2,3-triazole based crystals: Featuring experimental and theoretical analysis
2018 · P. Muthuraja, T. Joselin Beaula, et al. · Current Applied Physics · 19
Biological applications and spectroscopic investigations of 4-nitrophenol-urea dimer: A DFT approach
2015 · T. Joselin Beaula, P. Muthuraja, et al. · Chemical Physics Letters · 17
Effect of Charge Transfer and Non-Covalent Interactions of the Synthesized NLO Compound p-Nitrophenol Sodium-Bisulfate Using DFT Method
2022 · C. L. Shiny, A. Rathika, et al. · Polycyclic aromatic compounds · 16
Probing into the Outcome of Charge Transfer Interactions and Hyperconjugative Effect on the Antibacterial Molecule 4-dimethylaminopyridine using Spectroscopic Elucidations and DFT Calculations
2021 · J.D. Deephlin Tarika, C.L. Shiny, et al. · Journal of Molecular Structure · 13
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
2022 · J.D. Deephlin Tarika, A. Rathika, et al. · Journal of Molecular Structure · 12
Twisted intra-molecular charge transfer investigations of semiorganic triglycine phosphate single crystal for non linear optical applications
2017 · M.R. Meera, T. Joselin Beaula, et al. · Journal of Molecular Structure · 8
Study of different interactions in piperazine benzoate and its effect on biological properties: Experimental and theoretical approach
2023 · Suja R., A. Rathika, et al. · Journal of Molecular Structure · 7
Hypothetical confirmation for the anti-bacterial compound potassium succinate-succinic acid in comparison with certain succinate derivatives
2023 · X. D. Divya Dexlin, J. D. Deephlin Tarika, et al. · Journal of Biomolecular Structure and Dynamics · 7
Supramolecular interactions in itaconic acid-2-amino-4,6-dimethylpyrimidine molecular adduct: Physicochemical characterisation and quantum chemical calculations for the molecular adduct
2019 · P. Muthuraja, V.S. Aparna, et al. · Journal of Physics and Chemistry of Solids · 7
Works count: 60
Citation count: 844
H-index: 17
I10-index: 21
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