Adsorption and Activated Processes
An article discussing the effect of adsorption/confinement on chemical reactions and activated processes is available in the Feb. 2014 issue of Molecular Simulation. The paper can be accessed here.
Computational Discovery of Next-Generation Materials and Chemicals
An article discussing the effect of adsorption/confinement on chemical reactions and activated processes is available in the Feb. 2014 issue of Molecular Simulation. The paper can be accessed here.
“On the Calculation of Solid-Fluid Contact Angles from Molecular Dynamics”, was just published online on the special issue of Entropy on molecular dynamics simulation. The article is available online here (open access).