Computer-Based Structure Elucidation from Spectral Data
Language: English
Published by Springer Berlin Heidelberg, 2016
- Softcover
- New
Condition: New
£ 80.77
Quantity: Over 20 available
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Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Introduces problem solving in molecular structure elucidation using ACD/Structure ElucidatorProvides a detailed explanation of the various practical approachesSpecial version of ACD/Structure Elucidator and 100 problems are available .
Seller Inventory # 449137672
- Title
- Computer-Based Structure Elucidation from Spectral Data
- Author
- Mikhail E. Elyashberg|Antony J. Williams
- Publisher
- Springer Berlin Heidelberg
- Publication year
- 2016
- Condition
- New
- Binding
- Soft cover
- Language
- English
- ISBN 10
- 3662510545
- ISBN 13
- 9783662510544
- Series
- Book 16 of 33: Lecture Notes in Chemistry
- Seller catalogs
- Mathematik/Naturwissenschaften/Technik/Medizin
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.
"Synopsis" may belong to another edition of this title.
About the Author
mikhail.elyashberg@gmail.com
Antony Williams
Kirill Blinov
"About the title" may belong to another edition of this title.
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