Understanding the mechanism and regio- and stereo selectivity of [3 + 2] cycloaddition reactions between substituted azomethine ylide and 3, 3, 3-trifluoro-1-nitroprop-1-ene, within the molecular electron density theory. - Chafia Sobhi; Lynda Merzoud; Souad Bouasla; Abdelmalek Khorief Nacereddine; Christophe Morell; Henry Chermette (J. Comput. Chem., 2023)