MSINDO Study of Water Adsorption on the Clean MgO(100) Surface
Viacheslav A. Tikhomirov, Karl Jug · The Journal of Physical Chemistry B · 2000
The improved version MSINDO of the semiempirical SINDO formalism was used to study the water adsorption on the clean MgO(100) surface. The surface was simulated by a sufficiently large cluster. Several overlayer structures for the monolayer coverage of water were studied, and the most stable arrangement among them was determined.