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Computer-Based Structure Elucidation from Spectral Data

Name: Computer-Based Structure Elucidation from Spectral Data
Brand: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
SKU: 15201823
Price: 103.07 EUR
Availability: InStock
Author: Mikhail E. Elyashberg
ISBN: 9783662510544

The Art of Solving Problems

Mikhail E. Elyashberg

Antony J. Williams

Langue

Anglais

Livre Livre de poche

Code Libristo: 15201823

Éditeurs Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, octobre 2016

Here, the authors introduce readers to solving molecular structure elucidation problems using the ex... Description détaillée

Code Libristo: 15201823

249 b

103.07 €

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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.