Phonon spectra ofL12Ni3Al andB2 NiAl: Ab initio calculations
✍ Scribed by É. I. Isaev; A. I. Likhtenshtein; Yu. Kh. Vekilov; E. A. Smirnova
- Book ID
- 110139404
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2004
- Tongue
- English
- Weight
- 95 KB
- Volume
- 46
- Category
- Article
- ISSN
- 1063-7834
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The equilibrium geometry of linear CXO has been calculated with high precision ( ~0.0005 8, accuracy) by combining experimental ground-state rotational constants and theoretical vibration-rotation coupling constants. The results are R,,( C,-C,) = 1.27 I7 A, R2e(C2-C3) = 1.2965 A and R,,(C3-0) = 1.14