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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: 107.29 EUR
Availability: InStock
Author: Mikhail E. Elyashberg
ISBN: 9783662510544

The Art of Solving Problems

Mikhail E. Elyashberg

Antony J. Williams

Lingua

Inglese

Libro In brossura

Codice Libristo: 15201823

Casa editrice Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, ottobre 2016

Here, the authors introduce readers to solving molecular structure elucidation problems using the ex... Descrizione completa

Codice Libristo: 15201823

263 b

107.29 €

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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.