Estimating the pKa of phenols, carboxylic acids and alcohols from semi-empirical quantum chemical methods-Reference-Cited by-同舟云学术

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Estimating the pKa of phenols, carboxylic acids and alcohols from semi-empirical quantum chemical methods

Published:1999-01 Issue:1 Volume:38 Page:191-206
ISSN:0045-6535
Container-title:Chemosphere
language:en
Short-container-title:Chemosphere

Author:

Citra Mario J.

Publisher

Elsevier BV

Subject

General Medicine,General Chemistry,Environmental Chemistry,Environmental Engineering,Pollution,Health, Toxicology and Mutagenesis,Public Health, Environmental and Occupational Health

Reference17 articles.

1. pKa Prediction for Organic Acids and Bases;Perrin,1981

2. CompuDrug NA, Inc. pKalc Version 3.1, (1996).

3. ACD Inc. ACD/pKa Version 1.0, (1997).

4. Estimation of Chemical Reactivity Parameters and Physical Properties of Organic Molecules using SPARC;Hilal,1994

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