MSINDO study of water adsorption on the clean MgO(100) surface

Article Abstract:

The improved version MSINDO of the semiempirical SINDO formalism is used to study the water adsorption on the clean MgO(100) surface. It was found that the new version MSINDO of the SINDO method that the most stable adsorbate structure of a single water molecule is a tilted form with the oxygen bound to magnesium atom and one hydrogen bound to adjacent oxygen of the surface.

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Phase transitions in magnesium nitrate thin films: a transmission FT-IR study of the deliquescence and efflorescence of nitric acid reacted magnesium oxide interfaces

Article Abstract:

The heterogeneous reaction of gas phase nitric acid on MgO(100) at 296 K under dry and wet conditions and water uptake on these reacted surfaces is investigated using FT-IR spectroscopy. The phase transitions in thin films have different behaviors that are found in the bulk phase.

Nitric Acid, Nitrogenous Fertilizer Manufacturing, Nitrogenous fertilizers

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Toward an understanding of the formation of Vanadia-Titania catalysts

Article Abstract:

The structures of hydrated vanadia species on the TiO2-anatase are investigated using the semiempirical molecular orbital method MSINDO. Monomeric and dimeric hydrated vanadia species on the anatase surfaces is simulated by adsorbing VO4H3 and V2O7H4 molecules.

Titanium compounds, Vanadium compounds

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