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

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

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1129, 5 February 2017, Pages 72-85

Javeed Ahmad War, K. Jalaja, Y. Sheena Mary, C. Yohannan Panicker, Stevan Armaković, Sanja J. Armaković, Santosh Kumar Srivastava, C. Van Alsenoy,