The DP5 probability, quantification and visualisation of structural uncertainty in single molecules
Author:
Affiliation:
1. Centre for Molecular Informatics, Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK
Abstract
Funder
Engineering and Physical Sciences Research Council
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2022/SC/D1SC04406K
Reference64 articles.
1. Chasing Molecules That Were Never There: Misassigned Natural Products and the Role of Chemical Synthesis in Modern Structure Elucidation
2. The True Structures of the Vannusals, Part 1: Initial Forays into Suspected Structures and Intelligence Gathering
3. The True Structures of the Vannusals, Part 2: Total Synthesis and Revised Structure of Vannusal B
4. Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions: A Powerful Approach for Structure Elucidation, Verification, and Revision
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