Mechanistic Insights into Curvature and Coordination-Governed Site-Selectivity in the Multistep Diels–Alder Functionalization and Polymerization of Borospherene B40

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DOI:10.1021/acs.jpca.6c03866
作者：Wenbo Zhang,?Changwei Wang,?Kun Yuan,?Jing-Shuang Dang
文献类型：期刊论文
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American Chemical Society (ACS)

Abstract：A comprehensive density functional theory study of the Diels–Alder (DA) cycloaddition between cyclopentadiene (Cp) and borospherene B40 is presented, in which the origin of site-selectivit

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