The stereoselectivity of propene polymerization catalyzed by transition metals has been revisited by the Activation Strain Model coupled with the Natural Energy Decomposition Analysis. Different homogeneous ligand frameworks have been analyzed with the aim to assess the interplay of steric and electronic effects in the polymerization mechanisms.

中文翻译：

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重新审视立体选择性丙烯聚合机制：通过活化应变模型的见解

通过活化应变模型与自然能量分解分析相结合，重新审视了过渡金属催化的丙烯聚合的立体选择性。分析了不同的均相配体框架，旨在评估聚合机制中空间效应和电子效应的相互作用。