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Mechanistic Understanding of Alkyne Haloboration: An Ab Initio Study

โœ Scribed by Wang, Chao; Uchiyama, Masanobu


Book ID
118235810
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
854 KB
Category
Article
ISSN
1434-193X

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HCuCO is studied using a large Gaussian basis set at the coupled cluster singles and doubles level of theory, including a perturbational estimate of the connected triples (CCSD( T) ). In contrast with C&O, HCuCO is linear. The Cu-CO bond in HCuCO is significantly stronger than in CuCO. These differe