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001400245 020__ $$z9781466508781 (hardback)
001400245 020__ $$a9781466508804 (e-book)
001400245 035__ $$a(MiAaPQ)EBC1433361
001400245 035__ $$a(Au-PeEL)EBL1433361
001400245 035__ $$a(CaPaEBR)ebr10802499
001400245 035__ $$a(CaONFJC)MIL544944
001400245 035__ $$a(OCoLC)863821993
001400245 040__ $$aMiAaPQ$$beng$$erda$$epn$$cMiAaPQ$$dMiAaPQ
001400245 050_4 $$aQD477$$b.S54 2014
001400245 0820_ $$a546/.24$$223
001400245 1001_ $$aShields, George C.$$q(George Charles),$$d1959-
001400245 24510 $$aComputational approaches for the prediction of pKa values /$$cGeorge C. Shields, Paul G. Seybold.
001400245 264_1 $$aBoca Raton :$$bCRC Press,$$c[2014]
001400245 264_4 $$c©2014
001400245 300__ $$a1 online resource (164 pages) :$$billustrations.
001400245 336__ $$atext$$2rdacontent
001400245 337__ $$acomputer$$2rdamedia
001400245 338__ $$aonline resource$$2rdacarrier
001400245 440_0 $$aQSAR in environmental and health sciences ;$$v4
001400245 504__ $$aIncludes bibliographical references.
001400245 506__ $$aAccess limited to authorized users.
001400245 520__ $$a"The book describes how one can calculate the acidities and basicities of chemicals (pKa is the dissociation constant). Many drugs, industrial chemicals, biochemicals and pollutants dissociate to form new species under different conditions. The nature of the species present has a profound effect on how the species act, and it is important to be able to estimate which species will be present under different conditions. No other book summarizes how one can estimate the natures of the species present using modern theoretical methods. This book fills that need"--$$cProvided by publisher.
001400245 588__ $$aDescription based on print version record.
001400245 650_0 $$aAcids$$xBasicity.
001400245 650_0 $$aDissociation.
001400245 650_0 $$aChemistry, Physical and theoretical.
001400245 655_0 $$aElectronic books
001400245 7001_ $$aSeybold, Paul G.
001400245 77608 $$iPrint version:$$aShields, George C.$$tComputational approaches for the prediction of pKa values.$$dBoca Raton : CRC Press, [2014]$$z9781466508781$$w(DLC)17882490
001400245 852__ $$bebk
001400245 85640 $$3ProQuest Ebook Central Academic Complete $$uhttps://univsouthin.idm.oclc.org/login?url=https://ebookcentral.proquest.com/lib/usiricelib-ebooks/detail.action?docID=1433361$$zOnline Access
001400245 909CO $$ooai:library.usi.edu:1400245$$pGLOBAL_SET
001400245 980__ $$aBIB
001400245 980__ $$aEBOOK
001400245 982__ $$aEbook
001400245 983__ $$aOnline