Computational approaches for the prediction of pKa values / George C. Shields, Paul G. Seybold.

9781466508781 (hardback)
9781466508804 (e-book)

Boca Raton : CRC Press, [2014]

©2014

English

1 online resource (164 pages) : illustrations.

QD477 .S54 2014

546/.24

"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.

Includes bibliographical references.

Access limited to authorized users.

Description based on print version record.

QSAR in environmental and health sciences ; 4

Online Resources > Ebooks
All Resources