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
(Young Researchers and Elite Club, Gorgan Branch, Islamic Azad University, Gorgan, Iran)
Ebrahim Balali
2
(Department of Pharmaceutical Chemistry, Faculty of Pharmaceutical Chemistry, Pharmaceutical Sciences Branch, Islamic Azad University, Tehran, Iran)
Hadi Lari
3
(Department of Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, Iran)
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