The molecular mechanistic insights into both nitroxyl organocatalysis in aerobic oxidation and pungent taste in food science were addressed in my recent studies.
Colloidal Janus spheres in the bulk typically spontaneously assemble into plastic crystalline phases,while particle orientations exhibit glasslike dynamics without long-range order.
Free energy calculations at an ab initio QM/MM level are a daunting challenge,due that extensive phase space sampling is always indispensable before convergence can be reached and for most cases many