By Mikhail E. Elyashberg,Antony J. Williams
Here, the authors introduce readers to fixing molecular constitution elucidation difficulties utilizing the specialist approach ACD/Structure Elucidator. They clarify intimately the options of the Computer-Assisted constitution Elucidation (CASE) technique and indicate the an important function of realizing the axiomatic nature of the knowledge used to infer the constitution. points lined comprise the most blocks of the specialist approach and crucial beneficial properties of the mathematical algorithms used. Graduate and PhD scholars in addition to training chemists are supplied with an in depth rationalization of some of the functional techniques counting on on hand spectral information peculiarities and the complexity of the unknown constitution. this is often supported by means of a number of real-world accomplished examples, such a lot of that are concerning the constitution elucidation of average product molecules containing strange skeletons. devoted software program and additional supplementary fabric can be found at www.acdlabs.com/TeachingSE.
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Extra info 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