QuímicaInglês
Publicados in Corin Wagen
Autor Corin Wagen
Recently, I’ve been working to assign the relative configuration of some tricky diastereomers, which has led me to do a bit of a deep dive into the world of computational NMR prediction. Having spent the last week or so researching the current state-of-the-art in simulating experimental 1 H NMR spectra, I’m excited to share some of my findings.