Application of the multiple computer automated structure evaluation methodology to a quantitative structure-activity relationship study of acidity
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference28 articles.
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2. and pKa Prediction for Organic Acids and Bases, Chapman and Hall, London, 1981; at the time we finished writing this article, Dixon and Jurs published their work about the estimation of pKa for organic oxyacids using calculated atomic charges (
3. Estimation of pKa for organic oxyacids using calculated atomic charges
4. Quantum-mechanically calculated properties for the development of quantitative structure-activity relationships (QSAR'S). pKA-values of phenols and aromatic and aliphatic carboxylic acids
5. Prediction of pKaVlaues of Alkylphosphonic Acids
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