An experimental and theoretical study on the regioselective synthesis of a new class of spiropyrrolothiazoles with quinoxaline motifs via a 1, 3-dipolar cycloaddition reaction. An evaluation of DFT methods1. Issue 93 (11th October 2015) - Hamzehloueian, Mahshid
Abstract Evaluation of B3LYP/6-31G(d, p), wB97xD/6-31G(d, p) and M06-2X/6-31G(d, p) methods revealed the importance of π/π interactions in regio- and stereoselectivity of cycloaddition reactions.