Asadollah Farhadi - Faculty of Science, University of Petroleum Technology Ahwaz, ۶۱۹۸۱-۴۴۴۷۱, Ahwaz Iran
Ahmad Reza Momeni - Department of Chemistry, Faculty of Science ,Shahrekord University, Shahrekord , Iran ,
Zahra Nabizadeh Arbabi - Department of Chemistry, Faculty of Science ,Shahrekord University, Shahrekord , Iran ,

4-Aryl-1,4-dihydropyridines are analogues of NADH coenzymes, which have been explored for their calcium channel activity. Density functional theory calculations have been performed to determine the hardness (η), chemical potential (μ) and electrophilicity (ω) energy molecules. The aim of present studies is to focus on the structural optimization, electronic properties of some ethyl 4-aryl-1,4-dihydropyrdin-3,5-dicarboxylate(DHPs) by using density functional theory. Results of this study show that in these DHPs the electronic parameters are depends on the nature of the substituent at the C4 position.

1,4-dihydropyridine-hardness-chemical potential-electrophilicity