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Computational approaches for the prediction of pKa values / George C. Shields, Paul G. Seybold.
| Author/creator | Shields, George C., 1959- |
| Other author | Seybold, Paul G. |
| Format | Electronic |
| Publication Info | Boca Raton : CRC Press, Taylor & Francis Group, 2014. |
| Description | xx, 155 pages : illustrations : 25 cm. |
| Supplemental Content | Full text available from Ebook Central - Academic Complete |
| Subjects |
| Series | QSAR in environmental and health sciences |
| Abstract | "The book describes how one can calculate the acidities and basicities of chemicals (pKa is the dissociation constant). Many drugs, industrial chemicals, biochemicals and pollutants dissociate to form new species under different conditions. The nature of the species present has a profound effect on how the species act, and it is important to be able to estimate which species will be present under different conditions. No other book summarizes how one can estimate the natures of the species present using modern theoretical methods. This book fills that need"-- Provided by publisher. |
| Bibliography note | Includes bibliographical references (pages 109-142) and index. |
| Access restriction | Available only to authorized users. |
| Technical details | Mode of access: World Wide Web |
| Genre/form | Electronic books. |
| LCCN | 2013036872 |
| ISBN | 9781466508781 (hardback : alk. paper) |
| ISBN | 1466508787 (hardback : alk. paper) |
Availability
| Library | Location | Call Number | Status | Item Actions |
|---|---|---|---|---|
| Electronic Resources | Access Content Online | ✔ Available |