Paper Publications |
NUMBER OF PAPER PUBLICATIONS: 25
1. Jayasheela. K et al., (2022), Computational Evaluation on Molecular Structure, Charge, NMR, Electronic (HOMO-LUMO) Properties, and Spectroscopic Profiling of Pioglitazone with Molecular Docking Studies, Trends in sciences 2022, 19(24): 2872.
2. Jayasheela. K et al., (2020), Conformational and spectroscopic characterization, charge analysis and molecular docking profiles of chromone-3- carboxylic acid using a quantum hydbrid computational method, Heliyon 6 (2020) e04775.
3. Jayasheela. K et al., (2020), Structural, Vibrational (FT-IR and FT-Raman) with NMR (13C and 1H) Molecular docking studies on 2-chloro-3-Pyridine Carboxaldehyde using DFT Methods, Muktshabd Journal, Vol IX, Issue VIII.
4. Jayasheela. K et al., (2020), Molecular structure, Vibrational Spectra, HOMO-LUMO AND NMR Studies on 5-Formyl-2-Furanyl Boronic acid using Density Functional Theories, Muktshabd Journal, Vol IX, Issue VIII.
5. Jayasheela. K et al., (2020), FT-IR, FT-Raman Spectroscopic investigation and DFT analysis of p-nitrobenzo hydrazide, Mukt shabd Journal, Vol IX, Issue VII.
6. Jayasheela. K et al., (2020), NMR and UV spectroscopic investigation on nitrobenzo hydrazide, Mukt shabd Journal, Vol IX, Issue VII.
7. Jayasheela. K et al., (2020), Spectroscopic investigation (FT-IR, FT-RAMAN, NMR UV), Molecular Docking and DFT analysis of 4-(Amino methyl) Pyridine, Mukt shabd Journal, Vol IX, Issue VII.
8. Jayasheela. K et al., (2020), Quantum computational and spectral investigation of 4-chloro phenylacetyl chloride, Gedrag & Organisatie review Journal, Vol 33, Issue II.
9. Jayasheela. K et al., (2020), Docking and spectral studies of 3-Pyridine Methanol using Quantum Computational (DFT) method, Adalya Journal, Vol IX, Issue IV.
10. Jayasheela. K et al., (2020), Molecular Docking Studies and Wave Functional Analyses of 3-Fluoro Benzoic Acid. , Muktshabd Journal, Vol IX, Issue IV, 2347-3150.
11. Jayasheela. K et al., (2020), Density functional Computations, FT-IR, FT-Raman, NMR and UV analysis of 3-Formyl-2-thienylboronic acid, Adalya Journal, Vol IX, Issue II, 1301-2746.
12. Jayasheela. K et al., (2020), Structural, Vibrational, NBO –UV, NMR and Molecular Docking Studies on 2-hydroxybenzyl alcohol using DFT Methods, Adalya Journal, Vol IX, Issue II
13. Jayasheela. K et al., (2020), Molecular Structure, Vibrational Spectra, Homo, Lumo and NMR studies of 4-methoxy-n n-dimethylaniline Based on Density Functional Theories, Adalya Journal, Vol IX, Issue I.
14. Jayasheela. K et al., (2019), Spectroscopic and Quantum Computational Investigation of N(4-Hydroxyphenyl) Acetamide, International Journal of Research in Advent Technology, Vol VII, Issue V.
15. Jayasheela. K et al., (2019), Spectroscopic and Quantum Computational Investigation of 3-Cyano Chromone, International Journal of Research in Advent Technology, Vol VII, IssueV.
16. Jayasheela. K et al., (2019), Spectral Analysis of Molecular Dynamics of 3-Acetyl Pyridine Using DFT Methods, International Journal of Research and Analytical Reviews, Vol VI, Issue II.
17. Jayasheela. K et al., (2019), Biological investigation of 4-Phenylanisole, International Journal of Research and Analytical Reviews, Vol VI, Issue II.
18. Jayasheela. K et al., (2019), Docking and Spectroscopic Investigations of Chlorambucil using DFT Methods, International Journal of Research and Analytical Reviews, Vol VI, Issue II.
19. Jayasheela. K et al., (2019), Structural and Spectroscopic (FT-IR, FT-Raman, NMR, UV-Vis) Investigations on 4-Methoxyacetophenone Using QC Methods, International Journal of Research in Advent Technology, Vol VI, Issue II.
20. Jayasheela. K et al., (2019), Structural, spectroscopic, Hirshfeld surface and charge distribution analysis of 3-(1H-imidazole-1-yl)-1-phenylpropan-1-ol complemented by molecular docking predictions: An integrated experimental and computational approach, Journal of Molecular Structure, Vol II, Issue 1196, 578-591.
21. Jayasheela. K et al., (2018), Spectroscopic investigations of 5 (4-Methylphenyl)-5-Phenylhydantoin by DFT Methods, International Journal of basic and applied Research, Vol VIII, Issue VII.
22. Jayasheela. K et al., (2018), Spectroscopic investigations (FT-raman,FT-IR,NMR and UV) and structural analysis of 2-Hydroxy-3-methoxy benzyl alcohol, International Journal of basic and applied Research, Vol VIII, Issue VII.
23. Jayasheela. K et al., (2018), Probing vibrational activities, electronic properties, molecular docking and Hirshfeld surfaces analysis of 4-chlorophenyl ({[(1E)-3-(1Himidazol-1-yl)-1-phenylpropylidene] amino}oxy) methanone: Apromising anti-Candida agent, Journal of Molecular Structure, Vol I, Issue 1159, 83-95.
24. Jayasheela. K et al., (2018), Docking and spectral investigations on 2-Chloro-5-Nitropyridine-3-Carbonitrile by Quantum computational Methods, International Journal for Research in Applied Science and Engineering Technology (IJRASET), Vol VI, Issue IV.
25. Jayasheela. K et al., (2018), Docking and Spectral investigations on 7-Hydroxy-4-Chromone using Quantum Computational Analysis, International Journal of Research in Engineering and Technology, Vol VII, Issue II.
|