شماره ركورد كنفرانس :
5328
عنوان مقاله :
Theoretical investigations of the pyrimidine derivatives
پديدآورندگان :
shekoohi Khadijeh sh.shekoohi@gmail.com Department of Chemistry, Darab Branch, Islamic Azad University, Darab 7481783143-196, Iran
كليدواژه :
density functional theory , molecular electrostatic potential
عنوان كنفرانس :
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
چكيده فارسي :
This study used, the density functional theory (DFT) methods to evaluate the geometrical properties, the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO) analysis and the molecular electrostatic potential (MEP) of pyrimidine derivatives containing oxindole
