Substituent effects on 13C chemical shif
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Daryoush Tahmassebi
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Article
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2003
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John Wiley and Sons
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English
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๐ 1 views
## Abstract GIAO/HF and DFT methods were utilized to predict the ^13^C chemical shifts of substituted ketenimines. GIAO HF/6โ311+G(2d,p) and B3LYP/6โ311+G(2d,p) methods were applied on the optimized B3LYP/6โ31G(d) geometries and ^13^C chemical shifts of C~ฮฑ~ and C~ฮฒ~ of substituted ketenimines were