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Books > Science & Mathematics > Chemistry > Analytical chemistry > Qualitative analytical chemistry > Chemical spectroscopy, spectrochemistry
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Computer-Based Structure Elucidation from Spectral Data - The Art of Solving Problems (Hardcover, 2015 ed.)
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Computer-Based Structure Elucidation from Spectral Data - The Art of Solving Problems (Hardcover, 2015 ed.)
Series: Lecture Notes in Chemistry, 89
Expected to ship within 12 - 17 working days
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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.
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