Table of Contents

Introduction. Absolute pKa Calculations. Relative pKa Calculations. Quantitative Structure-Acidity Methods. Oxyacids and Related Compounds. Nitrogen Acids. Additional Types of Acids. Acids in Nonaqueous Solvents. Additional Factors Influencing Acidity and Basicity. Conclusions. References.

About the Author

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.