Document Type : Research Paper
In the present work, the regioselectivity for a series of Diels–Alder reactions (4 reactions) has been
studied using hardness, electrophilicity and polarizability of products.Furthermore,thermodynamic
and kinetic calculations have been done. In all results predicted pararegioisomer is more favorable
regioisomerinthese investigated reactions.All calculations have been done at the DFT-B3LYP/6-31G
(d) level of theory.