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Substituent effects on stability of ketenimines

โœ Scribed by Sung, Kuangsen

Book ID
121321499
Publisher
Royal Society of Chemistry
Year
1999
Tongue
English
Weight
143 KB
Volume
6
Category
Article
ISSN
1472-779X

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## Abstract GIAO/HF and DFT methods were utilized to predict the ^13^C chemical shifts of substituted ketenimines. GIAO HF/6โ€“311+G(2d,p) and B3LYP/6โ€“311+G(2d,p) methods were applied on the optimized B3LYP/6โ€“31G(d) geometries and ^13^C chemical shifts of C~ฮฑ~ and C~ฮฒ~ of substituted ketenimines were