مرور Volume 15, Issue 1 بر اساس موضوع "biological activity"

در حال نمایش موارد 1 - 1 از 1

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

Hussien, Shimaa؛ moustafa, hussien؛ H. Amin, Nabil؛ A. Ibrahima, Magdy؛ Ibrahima, ELShimaa (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-01-01)

The electronic structure and spectra of 3-formylchromone and some of its derivatives are investigated using TD-DFT/B3LYB/6-311G (d, p) level of theory. The results of calculations show that all the studied compounds 1–6 ...