Computer-Based Structure Elucidation from Spectral Data

Computer-Based Structure Elucidation from Spectral Data

The Art of Solving Problems

Elyashberg, Mikhail E.; Williams, Antony J.

Springer-Verlag Berlin and Heidelberg GmbH & Co. KG

10/2016

447

Mole

Inglês

9783662510544

15 a 20 dias

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.
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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