Browsing by Author
Abraham, Christina Susan
Showing results 1 to 3 of 3
| Issue Date | Title | Author(s) | Type | Мp-cat. |
| 2019 | Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach | Abraham, Christina Susan; Muthu, S.; Prasana, Johanan Christian; Armaković, Stevan   ; Armaković, Sanja ; Rizwana, B. Fathima; Geoffrey, Ben; David, R. Host Antony | Article | |
| 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, Christina Susan; Muthu, S.; Prasana, Johanan Christian; Armaković, Sanja ; Armaković, Stevan ; Rizwana, B. Fathima; A.S., Ben Geoffrey | Article | |
| 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, Christina Susan; Muthu, S.; Prasana, Johanan Christian; Fathima, Rizwana B.; Armaković, Stevan ; Armaković, Sanja | Article | |