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Mechanistic Studies of the 1,4-Polymerization of Butadiene According to the π-Allyl-Insertion Mechanism. 2. Density Functional Study of the C−C Bond Formation Reaction in Cationic and Neutral (η3-Crotyl)(η2-/η4-butadiene)nickel(II) Complexes [Ni(C4H7)(C4H6)]+, [Ni(C4H7)(C4H6)L]+ (L = C2H4, PH3), and [Ni(C4H7)(C4H6)X] (X- = I-)

✍ Scribed by Tobisch, Sven; Bögel, Horst; Taube, Rudolf

No coin nor oath required. For personal study only.

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