Computational approaches for the prediction of pKa values / George C. Shields, Paul G. Seybold.
2014
QD477 .S54 2014
Linked e-resources
Linked Resource
Online Access
Details
Title
Computational approaches for the prediction of pKa values / George C. Shields, Paul G. Seybold.
ISBN
9781466508781 (hardback)
9781466508804 (e-book)
9781466508804 (e-book)
Published
Boca Raton : CRC Press, [2014]
Copyright
©2014
Language
English
Description
1 online resource (164 pages) : illustrations.
Call Number
QD477 .S54 2014
Dewey Decimal Classification
546/.24
Summary
"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, etc. Note
Includes bibliographical references.
Access Note
Access limited to authorized users.
Source of Description
Description based on print version record.
Added Author
Seybold, Paul G.
Series
QSAR in environmental and health sciences ; 4
Available in Other Form
Computational approaches for the prediction of pKa values.
Linked Resources
Online Access
Record Appears in
Online Resources > Ebooks
All Resources
All Resources