Altering solvent-mediated effective interaction between silica nanoparticles in water through polymer grafting.
A combined molecular dynamics (MD) simulation and free-energy methods to designing photoswitchable drug based on azobenzene fused serotonin for serotonin receptor.
We have established CCSD(T)/CBS (Complete Basis Set) limits for 3 stationary points on the benzene dimer potential energy surface and used them to evaluate to assess the accuracy of numerous lower scaling methods for both the structures and energetics.
The response of Co1−xFex(OH)2 electrocatalysts for the oxygen evolution reaction to changes in voltage correlates to element specific distortions. These angular distortions are caused by inequality between Fe–O and Co–O bond lengths.
The role of charge-asymmetric polyampholytes is unveiled in the liquid–liquid phase separation of their mixtures with charge-symmetric polyampholytes.