.

0 (hodnocen0 x )

EB

ONLINE

Boca Raton : CRC Press, [2014]

1 online resource (164 pages) : illustrations

ISBN 9781466508804 (e-book)

ISBN 9781466508781 (hardback)

aQSAR in environmental and health sciences ;$$v4

Print version: Shields, George C. Computational approaches for the prediction of pKa values. Boca Raton : CRC Press, [2014] xx, 142 pages QSAR in environmental and health sciences ; 4 ISBN 9781466508781

Includes bibliographical references

"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..

001765673

full

(Au-PeEL)EBL1433361

(CaONFJC)MIL544944

(CaPaEBR)ebr10802499

(MiAaPQ)EBC1433361

(OCoLC)863821993