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Theoretical calculation of the optical constants of transition metal silicides

✍ Scribed by Tzu-Yu Huang; Juh-Tzeng Lue

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
460 KB
Volume
152
Category
Article
ISSN
0370-1972

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πŸ“œ SIMILAR VOLUMES

The heats of formation of some transitio
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A method is described for determining the heats of formation of highly stable metal silicides and data are given for the following compounds:-Ti& TiSi, TiSiz, Zr&, ZrSi, ZrSiz, ThSiz, V&i, Ta&, TaSi,, MoSiz, and WSi2. The highest heats of formation are those of compounds containing Group IVa metals

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## Abstract The application of theoretical methods based on the density functional theory with hybrid functionals provides good estimates of the exchange coupling constants for polynuclear transition metal complexes. The accuracy is similar to that previously obtained for dinuclear compounds. We pr