A density functional theory study on the
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Zhi-Ming Li; Quan-Rui Wang
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Article
📅
2010
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John Wiley and Sons
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English
⚖ 330 KB
## Abstract The Diels‐Alder (DA) reactions of vinylallenes (VA) with ethylenes were investigated using the global electrophilicity and nucleophilicity of the corresponding reactants as global reactivity indexes defined within the conceptual density functional theory. The reactivity and regioselecti