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Browsing by Author
Rizwana B. Fathima
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Showing results 1 to 3 of 3
Issue Date
Title
Author(s)
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
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; Ben Ben Geoffrey
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; Rizwana B. Fathima; Armaković Stevan
; Armaković Sanja