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本文介绍了用于分析Diels-Alder反应的前线轨道的微扰分子轨道理论(PMO),从而用前线轨道的分子轨道系数和能量,解释了D-A反应的反应性规律和区域选择性规律。
In this paper, we introduce the perturbed molecular orbital theory (PMO) used to analyze the frontier orbital of the Diels-Alder reaction, and then explain the reactivity and regioselectivity of the D-A reaction using the molecular orbital coefficients and energies of the frontier orbital.