2 ms·
I got the impression that the modelling was just for the understanding of how it works.
by exe34 2y ago
I got the impression that the modelling was just for the understanding of how it works.
- rsfern 2y agoHere’s the preprint - https://chemrxiv.org/engage/chemrxiv/article-details/652414ed8bab5d2055f394c5 https://chemrxiv.org/engage/chemrxiv/article-details/652414e... Your impression is accurate, they have a bunch of experimental synthesis results and then some modeling to try to understand the reaction mechanism. They report 50-80% yield depending on the reaction conditions - I’m not a chemist but that seems pretty good to me