Works by Beaula, T. Joselin

Results: 11

Scrutiny and progress of optical activity using crystallographic, spectroscopic and topological analysis of potassium hydrogen phthalate malonic acid—A DFT approach.

Published in:

Journal of Materials Science: Materials in Electronics, 2025, v. 36, n. 18, p. 1, doi. 10.1007/s10854-025-15131-0

By:

Reshma, J. S.;
Beaula, T. Joselin;
Bemina, R. S.;
Suja, R.

Publication type:

Article

Investigation on the growth, structure and physical properties of pyridin-1-ium-2-carboxylate benzimidazole (1:1) hydrate single crystal.

Published in:

Journal of Materials Science: Materials in Electronics, 2023, v. 34, n. 11, p. 1, doi. 10.1007/s10854-023-10216-0

By:

Sivapriya, S.;
Raja, R. Subramaniyan;
Kumar, A. Arun;
Balasubramanian, K.;
Beaula, T. Joselin;
Padmasree, G.

Publication type:

Article

GROWTH, CHARACTERIZATION AND CHEMICAL COMPUTATIONS OF GUANIDINIUM TRICHLOROACETATE (GTCA) SINGLE CRYSTAL - DFT APPROACH.

Published in:

Bulletin of the Chemical Society of Ethiopia, 2023, v. 37, n. 4, p. 1033, doi. 10.4314/bcse.v37i4.18

By:

Sreedevi, R.;
Sinthiya, A. S. I. Joy;
Beaula, T. Joselin;
Balu, T.;
Murugakoothan, P.

Publication type:

Article

Synthesis, Physiochemical Characterization and Biological Investigation with Quantum Chemical Computations of Benzotriazole Salicylate.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 10, p. 6737, doi. 10.1080/10406638.2023.2284796

By:

Suja, R.;
Rathika, A.;
T., Joselin Beaula;
A., Arun Kumar

Publication type:

Article

Spectral Elucidations and Molecular Docking Analysis of Hydrogen Bonded Coordination Metal Complex Cadmium Nicotinate Using DFT Method.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 6, p. 4009, doi. 10.1080/10406638.2023.2244629

By:

Vincy, C. Dabora;
Nair, Lekshmi P.;
Shiny, C.L.;
Dexlin, X.D. Divya;
Beaula, T. Joselin

Publication type:

Article

Insights into Spectral Elucidations, Reactivity Sites, Invitro Assay, Molecular Docking and Pharmacokinetic Studies of Non-Covalently Bonded 4-Aminobenzoic Acid 4-Nitroaniline.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 3, p. 1722, doi. 10.1080/10406638.2023.2205152

By:

Dexlin, X. D. Divya;
Tarika, J. D. Deephlin;
Kumar, S. Madhan;
Rathika, A.;
Beaula, T. Joselin

Publication type:

Article

Bioactive Small Molecule, Piperazinium Bis(4-Hydroxybenzenesulphonate) upon Spectral Investigation, Hirshfeld Surface Analysis, Molecular Docking and ADMET Prediction: A Complement DFT Calculations.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 10, p. 8729, doi. 10.1080/10406638.2022.2150658

By:

Vincy, C. Dabora;
George, Jesby;
Tarika, J. D. Deephlin;
Balachandar, S.;
Shihab, N. K.;
Beaula, T. Joselin

Publication type:

Article

Quantum Chemical Investigations on the Hydrogen-Bonded Interactions of Bioactive Molecule N<sup>2</sup>-(4-Methoxysalicylidene) Arginine Hemihydrate.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 9, p. 7651, doi. 10.1080/10406638.2022.2138923

By:

Vincy, C. Dabora;
Tarika, J. D. Deephlin;
Sethuram, M.;
Jenepha Mary, S. J.;
Beaula, T. Joselin

Publication type:

Article

Impact of Protonation and Hydrogen Bonding Interactions on the Biological Properties of Antibacterial Compound 4-Dimethylaminopyridinium Salicylate Monohydrate: Correlation with Its Precursor Molecules.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 7, p. 5892, doi. 10.1080/10406638.2022.2110904

By:

Tarika, J. D. Deephlin;
Dexlin, X. D. Divya;
Rathika, A.;
Arun kumar, A.;
Jayanthi, D. Deva;
Beaula, T. Joselin

Publication type:

Article

Effect of Charge Transfer and Non-Covalent Interactions of the Synthesized NLO Compound p-Nitrophenol Sodium-Bisulfate Using DFT Method.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 5, p. 4621, doi. 10.1080/10406638.2022.2092876

By:

Shiny, C. L.;
Rathika, A.;
Tarika, J. D. Deephlin;
Alen, S.;
Beaula, T. Joselin

Publication type:

Article

Hypothetical confirmation for the anti-bacterial compound potassium succinate-succinic acid in comparison with certain succinate derivatives.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 3, p. 1237, doi. 10.1080/07391102.2023.2199078

By:

Dexlin, X. D. Divya;
Tarika, J. D. Deephlin;
Kumar, A. Arun;
Beaula, T. Joselin

Publication type:

Article