Theoretical study of water coverage on M
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A. L. Almeida; J. B. L. Martins; C. A. Taft; E. Longo; W. A. Lester Jr.
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Article
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1999
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John Wiley and Sons
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English
โ 386 KB
๐ 2 views
Ab initio and semiempirical calculations have been performed on an ## ลฝ . ลฝ . MgO cluster model in order to study the effects of water coverage on pure MgO 100 16 surfaces. The geometries of various adsorbed water molecules have been optimized and the binding energies, charge transfer, and prefer