TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives

Subject Areas : Journal of Physical & Theoretical Chemistry

Shimaa Hussien ¹ , hussien moustafa ² , Nabil H. Amin ³ , Magdy A. Ibrahima ⁴ , ELShimaa Ibrahima ⁵

1 - Ain shams unversity faculty of education
2 - Cairo university faculty of science
3 - Department of Chemistry, Faculty of Education, , Ain Shams University, Roxy 11711, Cairo, Egypt
4 - Department of Chemistry, Faculty of Education, , Ain Shams University, Roxy 11711, Cairo, Egypt
5 - Department of Chemistry, Faculty of Education, , Ain Shams University, Roxy 11711, Cairo, Egypt

Received: 2018-08-12 Accepted : 2018-10-30 Published : 2018-04-01

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