Quantum Chemical Investigation of the In
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Nadja SΓ€ndig; Thomas K. Dargel; Wolfram Koch
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Article
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2000
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John Wiley and Sons
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German
β 167 KB
The mechanistic details of the initial steps of the polymerization brought about by a dicyclopentadienyl yttriumhydrid catalyst have been computationally investigated using approximate density functional theory. In accord with the experimental information, the overall reaction sequence Cp