Highly enantiopure oxetanes via unprecedented catalytic photochemical method: In collaboration with @bach-lab.bsky.social and @hauer-lab.bsky.social, our PhD student Mike Pauls helped elucidate the reaction course by quantum chemical calculations! Thanks to all 👏 @jacs.acspublications.org

Check out our pre-print on accelerated semi-empirical electronic structure theory calculations on consumer-grade GPUs! ⬇️

Hello Bluesky! Here’s a look at what we the Bannwarth Lab has been up to so far: ☀️ Investigating photochemical processes with computational chemistry - efficient sampling of minimum energy crossing points (MECP): doi.org/10.1021/acs.... 🧵1/5