## Abstract The lowestβenergy structures and electronic properties of the BLi__~n~__ (__n__ = 1β7) clusters are reported using the B3LYP, MP2, and CCSD(T) methods with the augβccβpVDZ basis set. Though the results at the B3LYP level agree well with those at the CCSD(T) level, the MP2 method is rath
β¦ LIBER β¦
Structural and electronic properties of phosphorus-doped titanium clusters: A DFT study
β Scribed by Hualan Wang; Na Hu; Duan-Jian Tao; Zhang-Hui Lu; Jing Nie; Xiang-Shu Chen
- Book ID
- 116379980
- Publisher
- Elsevier
- Year
- 2011
- Tongue
- English
- Weight
- 635 KB
- Volume
- 977
- Category
- Article
- ISSN
- 2210-271X
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