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Author Shields, George C. (George Charles), 1959-

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

Publication Info. Boca Raton : CRC Press, [2014]
2014

Copies

Location Call No. OPAC Message Status
 Axe ProQuest E-Book  Electronic Book    ---  Available
Description 1 online resource (164 pages) : illustrations.
text rdacontent
computer rdamedia
online resource rdacarrier
Series QSAR in environmental and health sciences ; 4
Bibliography Includes bibliographical references.
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.
Note Description based on print version record.
Subject Acids -- Basicity.
Dissociation.
Chemistry, Physical and theoretical.
Genre/Form Electronic books.
Added Author Seybold, Paul G.
Other Form: 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 9781466508781 (DLC)17882490
ISBN 9781466508781 (hardback)
9781466508804 (e-book)

 
    
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