In this work we investigate the adsorption of polyelectrolyte chains onto uniformly charged cylindrical macroions by means of the Metropolis Monte Carlo simulations and weighted histogram analysis method. Adopting a ...

In this work we investigate the adsorption of polyelectrolyte chains onto uniformly charged cylindrical macroions by means of the Metropolis Monte Carlo simulations and weighted histogram analysis method. Adopting a ...

To get an insight into the mechanism of cation diffusion in stabilized zirconia, the diffusion of all stable lanthanides was measured simultaneously in zirconia stabilised with scandia (ScSZ), yttria (YSZ) and calcia (CSZ). ...

The diffusion of all stable lanthanides in calcia stabilized zirconia (CSZ) and in yttria stabilized zirconia (YSZ) was measured. Lanthanide migration enthalpies were calculated using the Mott-littleton approach. The results ...

Within the Kohn-Sham framework and for a series of single charged monatomic anions, the orbital hardness is calculated as a change in the frontier eigenvalue, which is equivalent to integrate the local hardness function ...

This study involves the influence of ionic strength in intrinsic viscosity of xanthan gum. The best concentration of monovalent and bivalent cations chloride salts is evaluated. The salt concentration is 0.001 M for ...

Using molecular dynamics simulations, we investigated the thermal stability and real-time denaturation of a model mini-protein in four solvents: (1) water, (2) 1-ethyl-3-methylimidazolium alaninate [EMIM][ALA] (5 mol% in ...