By Mikhail E. Elyashberg
Here, the authors introduce readers to fixing molecular constitution elucidation difficulties utilizing the specialist approach ACD/Structure Elucidator. They clarify intimately the innovations of the Computer-Assisted constitution Elucidation (CASE) method and indicate the an important function of knowing the axiomatic nature of the knowledge used to infer the constitution. elements coated contain the most blocks of the specialist method and crucial beneficial properties of the mathematical algorithms used. Graduate and PhD scholars in addition to practising chemists are supplied with an in depth rationalization of a few of the functional techniques reckoning on on hand spectral information peculiarities and the complexity of the unknown constitution. this is often supported through various real-world accomplished examples, such a lot of that are on the topic of the constitution elucidation of usual product molecules containing strange skeletons. devoted software program and additional supplementary fabric can be found at www.acdlabs.com/TeachingSE.