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2017 Workshop – Introducing Mnova Structure Elucidation using 1D and 2D NMR

Home » Webinar » 2017 Workshop – Introducing Mnova Structure Elucidation using 1D and 2D NMR

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About the speaker

Dr. Chen Peng  Vice President of Business Development for North America and Asia

Dr. Chen Peng is the Vice President of Business Development for North America and Asia since he joined Mestrelab Research S.L. in May 2008. He got his B.Sc. in Organometallic Chemistry from Wuhan University, China.

Our second webinar in November 2017 was presented by our colleague Dr. Chen Peng (Mestrelab Research) and introduced the new Mnova Structure Elucidation plugin.

ABSTRACT:

After decades of efforts, it’s been understood that such a program can be of practical use only if it is a set of powerful algorithms properly wrapped in an easy-to-use graphic interface that allows the users to move back and forth (by trial and error) conveniently from spectral processing, peak picking and integration, bond-restraints generation and evaluation, and structure generation and ranking in a well-guided, highly-interactive workflow. Mnova Structure Elucidation released in Mnova version 12 is the result of our ongoing efforts and collaboration with COCON.[2]  The seminar will show a few examples to prove our points.

 

References for the talk:

  1. A. B. Gray, ‘Computer-Assisted Structure Elucidation’ Wiley, New York (1986).
  2. T. Lindel, J. Junker, M. Köck ‘Cocon: From NMR Correlation Data to Molecular Constitutions’  Molecular modeling annual, August 1997.
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