Browsing by Author Prasana J.
Showing results 1 to 3 of 3
| Issue Date | Title | Author(s) |
|---|---|---|
| 5-Nov-2019 | Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach | Abraham C.; Muthu S.; Prasana J.; Armaković, Stevan; Armaković, Stevan; Rizwana B. F.; Geoffrey B.; David R. H. |
| 1-Dec-2018 | Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drug | Abraham C.; Muthu S.; Prasana J.; Armaković, Stevan; Armaković, Stevan; Rizwana B. F.; Ben B. |
| 5-Nov-2018 | Vibrational and electronic absorption spectroscopic profiling, natural hybrid orbital, charge transfer, electron localization function and molecular docking analysis on 3-amino-3-(2-nitrophenyl) propionic acid | Abraham C.; Muthu S.; Prasana J.; Fathima Rizwana B.; Armaković, Stevan; Armaković, Stevan |