The equilibrium geometry and 48 vibrational normal-mode frequencies {of the|from the|in the|on the|with the|of your} neutral and cationic ground state {and the|and also the|as well as the|along with the|plus the}…
The development of predictive tools to assess enzyme mutant performance and physical organic approaches to enzyme mechanistic interrogation are crucial to the field of biocatalysis. While many indispensable tools exist…
Colorimetric sensing has been widely used for centuries across diverse fields, thanks to easy operation with no electricity and uncompromised high sensitivity. However, the limited number of chromogenic systems hampers…
Selective reactions that combine H2, CO and organic electrophiles (aldehyde, ketones, isocyanide) to form hydrogenated C3 and C4 carbon chains are reported. These reactions proceed by CO homologation mediated by…
Electrochemical ammonia oxidation reaction (AOR) is promising as an alternative anodicreaction to oxygen evolution in water electrolysis system. Herein, we develop a microkinetic model based on density functional theory (DFT)…