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69. The ionisation constants of some substituted anilines and phenols: a test of the Hammett relation

โœ Scribed by Biggs, A. I. ;Robinson, R. A.

Book ID
120828801
Publisher
The Royal Society of Chemistry
Year
1961
Weight
448 KB
Category
Article
ISSN
0368-1769

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Correlation of the acidity of substitute
Correlation of the acidity of substituted phenols, anilines, and benzoic acids calculated by MNDO, AM1, and PM3 with Hammett-type substituent constants
โœ Rafik Karaman; Jun-Tsu Luke Huang; James L. Fry ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 791 KB

## Abstract Heats of formation and net atomic charges of some 120 structures involving substituted phenols, anilines, and benzoic acids and the corresponding anions were calculated by MNDO, AM1, and PM3 semiempirical methods. The gas phase acidities of substituted phenols and anilines and the net a