Group theory of the structural phase transition Oh3 → D4h9 for A-15 compound V3Si
✍ Scribed by Tao Ruibao
- Book ID
- 107986199
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 271 KB
- Volume
- 92
- Category
- Article
- ISSN
- 0375-9601
No coin nor oath required. For personal study only.
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The ab initio electronic structure calculations at the MP2 and the Becke Ž . 3LYP density functional levels in conjunction with the 6-311qqG 2 df, 2 pd basis set were used for the determination of the structure, vibrational spectra, and dissociation 2q 2q Ž . energies of the XH and XH X s C, Si, Ge