Computer–Based Structure Elucidation from Spectral Data

The Art of Solving Problems

Inbunden, Engelska, 2015

AvMikhail E. Elyashberg,Antony J. Williams

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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.

Produktinformation

Utgivningsdatum2015-03-23
Mått155 x 235 x 30 mm
Vikt826 g
FormatInbunden
SpråkEngelska
SerieLecture Notes in Chemistry
Antal sidor447
Upplaga2015
FörlagSpringer-Verlag Berlin and Heidelberg GmbH & Co. KG
ISBN9783662464014

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"The book is primarily an instruction manual for the ACD/Structure Elucidator software, clearly different from educational books for the basic understanding of spectra-structure relationships. For users of the Structure Elucidator software, e.g., Ph.D. students and practicing chemists who are familiar with the basic principles of molecular spectroscopy and with experience in structure elucidation, the book is strongly recommended. ... This is the most comprehensive valuable resource for anyone using the ACD/Structure Elucidator." (Reinhard Meusinger, Analytical and Bioanalytical Chemistry, Vol. 408, 2016)