MINDO/3 calculations of the geometrical structure of the Lewis acid site on (0001) α-Al2O3
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics
Reference15 articles.
1. Non-empirical calculations of adsorbability of paired Lewis acid sites of alumina
2. Cluster Approximation in the Quantum-Chemical Investigations of Chemisorption and Surface Structures;Zhidomirov,1984
3. Molecular approach in the study of the processes of formation of the lattice of oxides. Characteristic features of coordination of AlO3 structural elements
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1. Effect of Chemisorption and Physisorption of Water on the Surface Structure and Stability of alpha-Alumina;Journal of the American Ceramic Society;2004-12-21
2. The interaction of water with solid surfaces: fundamental aspects revisited;Surface Science Reports;2002-05
3. First-Principles Molecular Dynamics Simulations of H2O on α-Al2O3 (0001);The Journal of Physical Chemistry B;2000-05-19
4. Effect of Refractory Oxides on the Oxidation of Graphite and Amorphous Carbon;Journal of the American Ceramic Society;1996-09
5. Quantum-chemical investigation of the geometric structure of the Lewis acid sites of the α-Al2O3 faces (0001), (1120), (2240);Journal of Molecular Catalysis A: Chemical;1995-05
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