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1、AChemist’sGuidetoDensityFunctionalTheory.SecondEditionWolframKoch,MaxC.HolthausenCopyright©2001Wiley-VCHVerlagGmbHISBNs:3-527-30372-3(Softcover);3-527-60004-3(Electronic)WolframKoch,MaxC.HolthausenAChemist’sGuidetoDensityFunctionalTheorySecondEditionWein
2、heim·NewYork·Chichester·Brisbane·Singapore·TorontoIIIAChemist’sGuidetoDensityFunctionalTheory.SecondEditionWolframKoch,MaxC.HolthausenCopyright©2001Wiley-VCHVerlagGmbHISBNs:3-527-30372-3(Softcover);3-527-60004-3(Electronic)Prof.Dr.WolframKochDr.MaxC.Holt
3、hausenGesellschaftDeutscherChemikerFachbereichChemie(GermanChemicalSociety)Philipps-UniversitätMarburgVarrentrappstraße40–42Hans-Meerwein-StraßeD-60486FrankfurtD-35032MarburgGermanyGermanyThisbookwascarefullyproduced.Nevertheless,authorsandpublisherdonot
4、warranttheinforma-tioncontainedthereintobefreeoferrors.Readersareadvisedtokeepinmindthatstatements,data,illustrations,proceduraldetailsorotheritemsmayinadvertentlybeinaccurate.LibraryofCongressCardNo.:appliedforBritishLibraryCataloguing-in-PublicationDat
5、a:AcataloguerecordforthisbookisavailablefromtheBritishLibraryDieDeutscheBibliothek–CIP-Cataloguing-in-PublicationData:AcataloguerecordforthisbookisavailablefromtheDeutscheBibliothekISBN3-527-30422-3(Hardcover)3-527-30372-3(Softcover)©WILEY-VCHVerlagGmbH,
6、D-69469Weinheim(FederalRepublicofGermany),2001Printedonacid-freepaperAllrightsreserved(includingthoseoftranslationintootherlanguages).Nopartofthisbookmaybereproducedinanyform–byphotoprinting,microfilm,oranyothermeans–nortransmittedortranslatedintoamachin
7、elanguagewithoutwrittenpermissionfromthepublishers.Registerednames,trademarks,etc.usedinthisbook,evenwhennotspecificallymarkedassucharenottobeconsideredunprotectedbylaw.Composition:Text-undSoftware-ServiceManuelaTreindl,D-93059RegensburgPrinting:StraussO
8、ffsetdruckGmbH,D-69509MörlenbachBookbinding:GroßbuchbindereiJ.Schäffer,D-67269GrünstadtPrintedintheFederalRepublicofGermanyIVAChemist’sGuidetoDensityFunctionalTheory.SecondEditionWolframKoch,MaxC.HolthausenCopyright©2001Wi