The DP5 probability, quantification and visualisation of structural uncertainty in single molecules
Sign Up to like & getrecommendations! Published in 2022 at "Chemical Science"
DOI: 10.1039/d1sc04406k
Abstract: Whenever a new molecule is made, a chemist will justify the proposed structure by analysing the NMR spectra. The widely-used DP4 algorithm will choose the best match from a series of possibilities, but draws no… read more here.
Keywords: dp5 probability; structure; probability; structural uncertainty ... See more keywords