00994nam0-22003251i-450-99000753412040332120071205101516.088-365-2181-9000753412FED01000753412(Aleph)000753412FED0100075341220030814d2001----km-y0itay50------baitaengITa-------001yyCaliforniaSan Francisco, Los Angeles, San Diego, la costa, le spiagge, i deserti, la Sierra Nevada e i grandi parchiTci.MilanoTCIc 2001288 p.ill.24 cm<<Le >>guide bluL'ed. orig. è curata da The Automobile AssociationStati UnitiCaliforniaGuideTouring club italianoITUNINARICAUNIMARCBK990007534120403321CONS.2 TCI 08(02)B.F.L.F. 43329ILFGEILFGECalifornia684989UNINA04164nam 22007335 450 991029863510332120200704030657.03-662-46402-010.1007/978-3-662-46402-1(CKB)3710000000360440(EBL)1998063(OCoLC)904281152(SSID)ssj0001451968(PQKBManifestationID)11916658(PQKBTitleCode)TC0001451968(PQKBWorkID)11479303(PQKB)10967853(DE-He213)978-3-662-46402-1(MiAaPQ)EBC1998063(PPN)184498643(EXLCZ)99371000000036044020150227d2015 u| 0engur|n|---|||||txtccrComputer–Based Structure Elucidation from Spectral Data The Art of Solving Problems /by Mikhail E. Elyashberg, Antony J. Williams1st ed. 2015.Berlin, Heidelberg :Springer Berlin Heidelberg :Imprint: Springer,2015.1 online resource (458 p.)Lecture Notes in Chemistry,0342-4901 ;89Description based upon print version of record.3-662-46401-2 Includes biblographical references at the end of each chapters.PART I: ACD/Structure Elucidator Expert System -- Fundamentals of the Structure Elucidator Expert Systems -- Strategies of Structure Elucidation -- PART II: Getting Started Structure Elucidator -- Simple Examples of Structure Elucidation -- PART III: Solution of Real World Problems.- Structure Elucidation Using Strict Structure Generation -- Structure Elucidation Using Fuzzy Structure Generation.Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic nature of the data used to deduce the structure. Aspects covered include the main blocks of the expert system and essential features of the mathematical algorithms used. Graduate and PhD students as well as practicing chemists are provided with a detailed explanation of the various practical approaches depending on available spectral data peculiarities and the complexity of the unknown structure. This is supported by a large number of real-world completed examples, most of which are related to the structure elucidation of natural product molecules containing unusual skeletons. Dedicated software and further supplementary material are available at www.acdlabs.com/TeachingSE.Lecture Notes in Chemistry,0342-4901 ;89Spectrum analysisChemistry, OrganicChemistry, Physical and theoreticalCheminformaticsSpectroscopy/Spectrometryhttps://scigraph.springernature.com/ontologies/product-market-codes/C11020Organic Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C19007Physical Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C21001Computer Applications in Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C13009Spectrum analysis.Chemistry, Organic.Chemistry, Physical and theoretical.Cheminformatics.Spectroscopy/Spectrometry.Organic Chemistry.Physical Chemistry.Computer Applications in Chemistry.541.220113Elyashberg Mikhail Eauthttp://id.loc.gov/vocabulary/relators/aut860922Williams Antony Jauthttp://id.loc.gov/vocabulary/relators/autMiAaPQMiAaPQMiAaPQBOOK9910298635103321Computer–Based Structure Elucidation from Spectral Data1921259UNINA