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Solvent and substituent effects upon the n .fwdarw. .pi.* transition of aliphatic carboxylic acids and esters

✍ Scribed by Caswell, Lyman R.; Howard, M. Francine.; Onisto, Therese M.


Book ID
126993048
Publisher
American Chemical Society
Year
1976
Tongue
English
Weight
763 KB
Volume
41
Category
Article
ISSN
0022-3263

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Quantum similarity measures were used to estimate dissociation constants for acid-base equilibria. It is proposed that the dissociation constant of a carboxylic acid may be described by the electronic density function of the COOH group and quantified by the self-similarity measure of this fragment.