Quantum Chemical Modeling of N-(2-benzoylphenyl)oxalamate: Geometry Optimization, NMR, FMO, MEP and NBO Analysis Based on DFT Calculations

Subject Areas : Journal of Physical & Theoretical Chemistry

Masoome Sheikhi ¹ , Siyamak Shahab ² , Ali Ramazani ³

1 - Iran, Islamic azad university
2 - Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus,13 Surganov Str., Minsk 220072, Belarus
3 - Department of Chemistry, University of Zanjan, P. O. Box 45195-313, Zanjan, Iran

Received: 2017-07-28 Accepted : 2017-08-24 Published : 2017-04-01

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