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Density functional theory (DFT) calculations at ωB97XD/SDD level have been conducted to study the differences between the insertions of ethylene into the non‐metallocene octahedral group 4 catalysts and those into metallocene group 4 catalysts. The study shows that both can be described by the Cossess mechanim, but are different energetically. The latter have energy profiles involving stable π complexes...
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