Computer–Based Structure Elucidation from Spectral Data: The by Mikhail E. Elyashberg,Antony J. Williams

By Mikhail E. Elyashberg,Antony J. Williams

Here, the authors introduce readers to fixing molecular constitution elucidation difficulties utilizing the professional process ACD/Structure Elucidator. They clarify intimately the techniques of the Computer-Assisted constitution Elucidation (CASE) procedure and indicate the the most important function of realizing the axiomatic nature of the knowledge used to infer the constitution. features lined comprise the most blocks of the specialist approach and crucial positive aspects of the mathematical algorithms used. Graduate and PhD scholars in addition to training chemists are supplied with a close rationalization of many of the sensible methods looking on to be had spectral facts peculiarities and the complexity of the unknown constitution. this can be supported by means of quite a few real-world accomplished examples, so much of that are with regards to the constitution elucidation of usual product molecules containing strange skeletons. committed software program and extra supplementary fabric can be found at www.acdlabs.com/TeachingSE.

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