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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
War, Javeed Ahmad, Jalaja, K., Mary, Y. Sheena, Panicker, C. Yohannan, Armaković, Stevan, Armaković, Sanja J., Srivastava, Santosh Kumar, Van Alsenoy, C.Language:
english
Journal:
Journal of Molecular Structure
DOI:
10.1016/j.molstruc.2016.09.063
Date:
September, 2016
File:
PDF, 9.19 MB
english, 2016