George C. Shields, Paul G. Seybold

Computational Approaches for the Prediction of pKa Values (eBook, PDF)

• Format: PDF

Produktbeschreibung

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

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Produktdetails

• Verlag: Taylor & Francis eBooks
• Seitenzahl: 175
• Erscheinungstermin: 7. Dezember 2013
• Englisch
• ISBN-13: 9781466508804
• Artikelnr.: 40391322

Autorenporträt

George Shields, Ph.D., is currently a professor of chemistry and dean of the College of Arts and Sciences at Bucknell University. His research uses computational chemistry to investigate atmospheric and biological chemistry.

Paul Seybold, Ph.D., has been has been a faculty member and department chair (1999-2004) in the Department of Chemistry at Wright State University in Ohio and a visiting scholar and visiting professor at a number of universities in the United States and Europe. His research interests center on chemical and biochemical applications of quantum chemistry, molecular structure-activity relationships, luminescence spectroscopy, and cellular automata models of complex systems.