机译:Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS)
Grupo de Química Cuántica y Teórica, Universidad de Cartagena, Programa de Química, Facultad de Ciencias Exactas y Naturales, Cartagena, Colombia;
Density functional theory (DFT); Diels-Alder reactions; Fukui function; Global and local reactivity indexes; Molecular quantum similarity; TGSA;