پديدآورندگان :
Kiamehr Mostafa m.kiamehr@qom.ac.ir Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran; , Abbasi Afshin Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran , Mostaanzadeh Hossein Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran , Honarmand Ebrahim Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran
كليدواژه :
Ab initio , thermodynamic study , DFT ,
چكيده فارسي :
Density functional theory calculations (DFT) were used to study the thermodynamic parameters for the eighteen compounds. These compounds are synthesized from the reaction of some of the N-alkylanthranilaldehydes with acryloyl chloride. For these types of reactions three deferent paths and products are expected. DFT calculations show that the main experimental products are thermodynamic controls one.
