Seyedeh Marziyeh Seyedin Brojeni - Department of chemistry, college of chemistry, ahvaz branch, Islamic Azad University, Ahvaz, Iran
Asadollah Farhadi - Faculty of Science, Petroleum University of Technology, Ahwaz ۱۱۹۱۱-۴۴۴۴۱, Iran

The ground-state geometries, vibration frequency wavelengths for a series of some asymmetric fused 1,4- dihydropyridine (DHPs) derivatives were studied withdensity functional theory (DFT). All calculations were carried out with Gaussian 91 software package. A comparison of the computed and the experimental datarevealed that the most appropriate functional and basis set is B3LYP/1-311G. Furthermore, in this work, we calculated the enthalpy formation energy and Gibbs free energies of formation reaction of these compounds

ground-sate, geometry, vibration frequency wavelength, asymmetric fused 1,4-dihydropyridine, B3LYP ، 1-311G, enthalpy formation energy, Gibbs free energies of formation reaction