Quantum Chemical Modeling of 1-(1, 3-Benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea: Molecular structure, NMR, FMO, MEP and NBO analysis based on DFT calculations

Subject Areas : Journal of Physical & Theoretical Chemistry

Masoome Sheikhi ¹ , Siyamak Shahab ²

1 - Iran, Islamic azad university
2 - Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus,13 Surganov Str, Minsk 220072, Belarus

Received: 2016-12-20 Accepted : 2016-12-26 Published : 2016-11-01

Keywords: