Natural and artificial autonomous molecular machines operate by constantly dissipating energy coming from an external source to maintain a non-equilibrium state. The in-depth study of these dissipative states is highly…
Despite the large relevance of bimetallic metal nanoparticles for heterogeneous catalysis, the relation between their shape and elemental composition remains elusive. Here, we investigate this relationship by implementing and applying…
Discrete nanocages provide a way to solubilize, separate, and tune the properties of molecular guests, including fullerenes and other aromatics. However, few such nanocages can be synthesized efficiently from inexpensive…
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…