Computational approaches for the prediction of pKa values /

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

"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 effec...

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Shields, George C. 1959-
TeilnehmendeR:
Seybold, Paul G.
Place / Publishing House:Boca Raton : : CRC Press,, [2014]
2014
Year of Publication:2014
Language:English
Series:QSAR in environmental and health sciences ; 4
Online Access:
Physical Description:1 online resource (164 pages) :; illustrations.
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id 5001433361
ctrlnum (MiAaPQ)5001433361
(Au-PeEL)EBL1433361
(CaPaEBR)ebr10802499
(CaONFJC)MIL544944
(OCoLC)863821993
collection bib_alma
record_format marc
spelling Shields, George C. (George Charles), 1959-
Computational approaches for the prediction of pKa values / George C. Shields, Paul G. Seybold.
Boca Raton : CRC Press, [2014]
2014
1 online resource (164 pages) : illustrations.
text rdacontent
computer rdamedia
online resource rdacarrier
QSAR in environmental and health sciences ; 4
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.
Description based on print version record.
Electronic reproduction. Ann Arbor, MI : ProQuest, 2015. Available via World Wide Web. Access may be limited to ProQuest affiliated libraries.
Acids Basicity.
Dissociation.
Chemistry, Physical and theoretical.
Electronic books.
Seybold, Paul G.
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
ProQuest (Firm)
https://ebookcentral.proquest.com/lib/oeawat/detail.action?docID=1433361 Click to View
language English
format eBook
author Shields, George C. 1959-
spellingShingle Shields, George C. 1959-
Computational approaches for the prediction of pKa values /
author_facet Shields, George C. 1959-
Seybold, Paul G.
author_variant g c s gc gcs
author_fuller (George Charles),
author2 Seybold, Paul G.
author2_variant p g s pg pgs
author2_role TeilnehmendeR
author_sort Shields, George C. 1959-
title Computational approaches for the prediction of pKa values /
title_full Computational approaches for the prediction of pKa values / George C. Shields, Paul G. Seybold.
title_fullStr Computational approaches for the prediction of pKa values / George C. Shields, Paul G. Seybold.
title_full_unstemmed Computational approaches for the prediction of pKa values / George C. Shields, Paul G. Seybold.
title_auth Computational approaches for the prediction of pKa values /
title_new Computational approaches for the prediction of pKa values /
title_sort computational approaches for the prediction of pka values /
publisher CRC Press,
publishDate 2014
physical 1 online resource (164 pages) : illustrations.
isbn 9781466508804 (e-book)
9781466508781
callnumber-first Q - Science
callnumber-subject QD - Chemistry
callnumber-label QD477
callnumber-sort QD 3477 S54 42014
genre Electronic books.
genre_facet Electronic books.
url https://ebookcentral.proquest.com/lib/oeawat/detail.action?docID=1433361
illustrated Illustrated
dewey-hundreds 500 - Science
dewey-tens 540 - Chemistry
dewey-ones 546 - Inorganic chemistry
dewey-full 546/.24
dewey-sort 3546 224
dewey-raw 546/.24
dewey-search 546/.24
oclc_num 863821993
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(CaPaEBR)ebr10802499
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is_hierarchy_title Computational approaches for the prediction of pKa values /
author2_original_writing_str_mv noLinkedField
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