@ARTICLE{
author={Abraham Christina Susan,Muthu S,Prasana Johanan Christian,Armakovic Stevan,Armakovic Sanja J,Rizwana Fathima B,Geoffrey Ben,David Host Antony R},
year={2019},
title={Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach},
journal={SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY},
volume={222},
number={},
pages={-},
document_type={Article; Proceedings Paper},
} 

@ARTICLE{
author={Abraham Christina Susan,Muthu S,Prasana Johanan Christian,Armakovic Sanja J,Armakovic Stevan,Rizwana Fathima B,Ben Geoffrey AS},
year={2018},
title={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},
journal={COMPUTATIONAL BIOLOGY AND CHEMISTRY},
volume={77},
number={},
pages={131-145},
document_type={Article},
} 

@ARTICLE{
author={Abraham Christina Susan,Muthu S,Prasana Johanan Christian,Rizwana Fathima B,Armakovic Stevan,Armakovic Sanja J},
year={2018},
title={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},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1171},
number={},
pages={733-746},
document_type={Article},
}