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Some applications of the bond valence model to transition metal chalcogenides

✍ Scribed by H. Boller

Book ID
116604299
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
175 KB
Volume
480
Category
Article
ISSN
0925-8388

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Model potential parameters and basis sets, presented previously for the transition metal atoms Sc through Hg, are tested in calculations of the transition metal compounds (CuF, CuC1, Cu2, TiCl,, ZrCL, CoFs3-, CoFs2-, AgH, AuH, CrF6, ScO, ZrO, Cr2, Mo2h Calculated values of the bond distances, vibrat