蒽与马来酸酐Diels-Alder反应的量化计算研究OA

The Diels-Alder reaction between anthracene and maleic anhydride is a classic experiment commonly performed in introductory organic chemistry courses.This article recommends a computational chemistry experiment for the Diels-Alder reaction between anthracene and maleic anhydride,utilizing density functional methods in the Gaussian 16 program to investigate the reaction mechanism.The aim of this experiment is to stimulate students'interest in organic chemistry and computational chemistry,deepen their understanding of the chemical discipline,and enhance their ability to apply knowledge in scientific research.