Theoretical Study of Structure and Stability of BnO and BnO2Clusters
โ Scribed by Xiao-Juan Feng; You-Hua Luo; Xiao Liang; Li-Xia Zhao; Ting-Ting Cao
- Book ID
- 106406403
- Publisher
- Springer
- Year
- 2008
- Tongue
- English
- Weight
- 552 KB
- Volume
- 19
- Category
- Article
- ISSN
- 1040-7278
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๐ SIMILAR VOLUMES
The structure and stability of small boron clusters B,, (n = 2-14) have been investigated employing density functional theory. The search for minima was performed using gradient methods at the local spin density level. Most of the final structures prefer planar or quasi-planar forms and can be consi
Electron correlation effects are shown to play a major role in determining the relative stability of the various forms of (NaCl),+. The DZh form of (NaCI): is found to be 0.64 eV more stable than the C,, structure. The NaJl+ Cl complexes investigated by other researchers are found not to be potentia