Title:
Computational approaches for the prediction of pKa values
Personal Author:
Series:
QSAR in environmental and health sciences ; 4
Publication Information:
Boca Raton : CRC Press, 2014.
Physical Description:
xix, 155 p. : ill. ; 24 cm.
ISBN:
9781466508781
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.
Added Author:
Available:*
Library | Item Barcode | Call Number | Material Type | Item Category 1 | Status |
---|---|---|---|---|---|
Searching... | 30000010328077 | QD477 S54 2014 | Open Access Book | Book | Searching... |