By Mikhail E. Elyashberg,Antony J. Williams
Here, the authors introduce readers to fixing molecular constitution elucidation difficulties utilizing the professional method ACD/Structure Elucidator. They clarify intimately the strategies of the Computer-Assisted constitution Elucidation (CASE) technique and indicate the the most important position of knowing the axiomatic nature of the knowledge used to infer the constitution. elements lined comprise the most blocks of the professional method and crucial good points of the mathematical algorithms used. Graduate and PhD scholars in addition to practising chemists are supplied with a close rationalization of a number of the useful methods looking on to be had spectral info peculiarities and the complexity of the unknown constitution. this is often supported via a good number of real-world accomplished examples, such a lot of that are regarding the constitution elucidation of traditional product molecules containing strange skeletons. committed software program and additional supplementary fabric can be found at www.acdlabs.com/TeachingSE.
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Extra resources for Computer–Based Structure Elucidation from Spectral Data: The Art of Solving Problems (Lecture Notes in Chemistry)
Computer–Based Structure Elucidation from Spectral Data: The Art of Solving Problems (Lecture Notes in Chemistry) by Mikhail E. Elyashberg,Antony J. Williams