A comparison of various MO methods for predicting regioselectivity in Diels-Alder reactions |
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| Authors: | Chen Zhixing |
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| Institution: | 1. Chemistry Department, Zhongshan University, Guangzhou, China
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| Abstract: | Various semiempirical MO methods for predicting regioselectivity in Diels-Alder reactions are compared in order to examine their reliability. They are the frontier molecular orbital method using CNDO/2, HMO and MNDO molecular orbitals and the HMO approach on pericyclic reactions presented by Tang. |
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