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A Theoretical Study on the Mechanism of the Cyclopolymerization of Diallyl Monomers

✍ Scribed by Tuzun, N. S.; Aviyente, V.; Houk, K. N.


Book ID
127301729
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
135 KB
Volume
68
Category
Article
ISSN
0022-3263

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## Abstract The acetylene → carbene rearrangement of three model __a__‐alkynones, namely propynal (**1a**), 2‐butynal (**1b**) and butynone (**1c**) is studied by __ab initio__ double‐zeta, double‐zeta plus polarization and double‐zeta plus self‐consistent electron pairs calculations. Transition st