Theoretical investigations on molecular structure, NBO, HOMO-LUMO and MEP analysis of two crystal structures of N-(2-benzoyl-phenyl) oxalyl: A DFT study

Subject Areas : Journal of Physical & Theoretical Chemistry

Masoome Sheikhi ¹ , Ebrahim Balali ² , Hadi Lari ³

1 - Young Researchers and Elite Club, Gorgan Branch, Islamic Azad University, Gorgan, Iran
2 - Department of Pharmaceutical Chemistry, Faculty of Pharmaceutical Chemistry, Pharmaceutical Sciences Branch, Islamic Azad University, Tehran, Iran
3 - Department of Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, Iran

Received: 2016-04-22 Accepted : 2016-07-22 Published : 2016-12-01

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