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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
User Contributions:
Comment about this article or add new information about this topic:
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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
User Contributions:
Comment about this article or add new information about this topic:
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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Density functional study of ethylene hydrogenation on Pt(111) surface. Density functional theory calculations on the interaction of ethene with the {111} surface of platinum
- Abstracts: Tungsten versus molybdate adsorption on oxidic surfaces: a chemical approach. Kinetic and mechanistic studies of the chemical vapor deposition of tungsten nitride from bis(tertbutylimido)bis(tertbutylamido)tungsten
- Abstracts: Influence of alkali and alkaline earth cations on the Bronsted acidity of zeolites. Interaction of methanol with metal exchanged molecular sieves. 2. Density functional study
- Abstracts: Stationary potential patterns during the reduction of peroxodisulfate at Ag ring electrodes. Pattern formation in globally coupled electrochemical systems with an S-shaped current-potential curve
- Abstracts: Acidic property of y- and mordenite-type zeolites with high aluminum concentration under dry conditions. Ultra-fine tuning of microporous opening size of zeolite by CVD