Correlation between the pKa and nuclear shielding of α-hydrogen of ketones
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DOI: 10.1007/s00894-019-4244-8
Abstract: The α-H acidity is an important chemical property of ketones that has attracted much research interest. Theoretical prediction of pKa for ketone α-H is significant. In this work, we theoretically studied the nuclear shielding of… read more here.
Keywords: calculated nuclear; pka values; enol forms; correlation ... See more keywords