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Electronic structure and phase stability of ZrO2

✍ Scribed by M. Morinaga; H. Adachi; M. Tsukada


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
534 KB
Volume
44
Category
Article
ISSN
0022-3697

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Electronic structure and stability of Al
✍ Yuhui Qu; Xiufang Bian πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 131 KB

## Abstract The geometry, electronic configurations, harmonic vibrational frequencies, and stability of the structural isomers of aluminum phosphide clusters have been investigated using the density functional theory. For dimers and trimers, the lowest energy structures are cyclic (IIs, IIIs) with