
Computational approaches for the prediction of pKa values
Title:
Computational approaches for the prediction of pKa values
Author:
Shields, George C. (George Charles), 1959-
ISBN:
9781466508804
Personal Author:
Physical Description:
1 online resource (164 pages) : illustrations.
Series:
QSAR in environmental and health sciences ; 4
Series Title:
QSAR in environmental and health sciences ; 4
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.
Local Note:
Electronic reproduction. Ann Arbor, MI : ProQuest, 2015. Available via World Wide Web. Access may be limited to ProQuest affiliated libraries.
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