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Computer–Based Structure Elucidation from Spectral Data The Art of Solving Problems /

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 n...

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Autori principali: Elyashberg, Mikhail E. (Autore, http://id.loc.gov/vocabulary/relators/aut), Williams, Antony J. (http://id.loc.gov/vocabulary/relators/aut)
Ente Autore: SpringerLink (Online service)
Natura: Elettronico eBook
Lingua:English
Pubblicazione: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2015.
Edizione:1st ed. 2015.
Serie:Lecture Notes in Chemistry, 89
Soggetti:
Spectroscopy.
Organic chemistry.
Physical chemistry.
Chemoinformatics.
Spectroscopy/Spectrometry.
Organic Chemistry.
Physical Chemistry.
Computer Applications in Chemistry.
Accesso online:https://doi.org/10.1007/978-3-662-46402-1
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Sommario:
  • 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.

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