@ARTICLE{
author={War Javeed Ahmad,Jalaja K,Mary Sheena Y,Panicker C Yohannan,Armakovic Stevan,Armakovic Sanja J,Srivastava Santosh Kumar,Van Alsenoy Christian},
year={2017},
title={Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1129},
number={},
pages={72-85},
document_type={Article},
}