๐”– Bobbio Scriptorium
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Quantum-Chemical-Calculations of Models for Surface Defects in Dehydroxylated Silica

โœ Scribed by V. I. Lygin; A. D. Serazetdinov; O. I. Chertikina; E. A. Ryabenko


Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
331 KB
Volume
156
Category
Article
ISSN
0370-1972

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๐Ÿ“œ SIMILAR VOLUMES


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## Abstract A local electronicโ€state density in ฮฒโ€cristobalite in the empirical tightโ€binding approximation has been calculated by the recursion method. In particular, silicon clusters have been considered in ฮฒโ€cristobalite containing up to three coordination spheres of silicon atoms.

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Considering that the bonds between a lanthanide and its ligands essentially possess an electrostatic character, we propose the representation of rare-earth elements within AM 1 as sparkles. To parametrize the sparkle model we have used the known geometry of the complex tris (acetylacetonate) ( 1, l