Water is perhaps the most important and most pervasive chemical on our planet. The
influence of water permeates virtually all areas of biochemical, chemical and physical …

During the past decade, interest in chemical reactions occurring at metal oxide-aqueous
solution interfaces has increased significantly because of their importance in a variety of …

High-resolution specular x-ray reflectivity of the mica (001)-water interface under ambient
conditions reveals oscillations in water oxygen density in the surface-normal direction …

We calculated the free energy profiles of water and three metal ions (magnesium, calcium,
and strontium) adsorbing on the {101̄4} calcite surface in aqueous solution. The approach …

This paper reviews molecular modeling studies of water structure in nano-confinement and
at fluid–solid interfaces and presents new molecular dynamics (MD) modeling results for …

Molecular dynamics computer simulations of the molecular structure, diffusive dynamics and
hydration energetics of water adsorbed on (001) surfaces of brucite Mg (OH) 2, gibbsite Al …

Environmental molecular surface science is an expanding area of current research. This
review focuses on advances in the molecular level understanding of oxide surfaces as they …

Molecular dynamics (MD) computer simulations of liquid water adsorbed on the muscovite
(001) surface provide a greatly increased, atomistically detailed understanding of surface …

The interaction of water with oxide surfaces has drawn considerable interest, owing to its
application to problems in diverse scientific fields. Atomic-scale insights into water …

Using the ab initio total energy method based on the gradient-corrected local density
approximation we have modeled the experimentally observed (3× 2) water monolayer on …