Computational Approaches for the Prediction of pKa Values(English, Electronic book text, Shields George C.) | Zipri.in
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Computational Approaches for the Prediction of pKa Values(English, Electronic book text, Shields George C.)

Computational Approaches for the Prediction of pKa Values(English, Electronic book text, Shields George C.)

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The pKa of a compound describes its acidity or basicity and, therefore, is one of its most important properties. Its value determines what form of the compound-positive ion, negative ion, or neutral species-will be present under different circumstances. This is crucial to the action and detection of the compound as a drug, pollutant, or other activ