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Mechanisms for the ozonolysis of ethene and propene: Reliability of quantum chemical predictions

✍ Scribed by Chan, Wai-To; Hamilton, I. P.

Book ID
121312551
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
444 KB
Volume
118
Category
Article
ISSN
0021-9606

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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