Energy data for selected dienophiles, dienes and other molecules mostly using DFT
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资源简介：
Energy data, HOMO, LUMO energies, figures and example output for selected dienophiles and dienes that are involved with asymmetric Diels-Alder reactions using D-glucose-based dienes or dienophiles. Mostly determined with DFT (RB3LYP 6-31G**). Also data for other molecules/reactions and some of their chemistry reported.
创建时间：
2023-11-21
