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Potentially stable carbenes: a theoretical study of pyrazol-ylidenes

✍ Scribed by Lisa L. Wall; H.V.Rasika Dias; Dennis S. Marynick


Book ID
113258860
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
468 KB
Volume
342
Category
Article
ISSN
0166-1280

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The potential-energy surfaces for the abstraction reactions of carbenes with oxirane and thiirane have been characterized in detail by using density functional theory (B3LYP/6-31G\*), which include zero-point corrections. Six carbene species: dimethylcarbene, cyclobutylidene, cyclohexylidene, phenyl