Computational Study of Alkaline Earth Metal Atom on Ge11 and Ge12 Clusters
碩士 === 中國文化大學 === 化學系應用化學碩士班 === 103 === We have used the B3LYP of density functional theory (DFT) and a simple basis set 6-31G* to optimize the structures of the hybrid clusters formed by adsorptions of alkaline earth metal(AEM) on Ge11 and Ge12 . Generally, Be has the best capability of forming co...
| Main Authors: | , |
|---|---|
| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2015
|
| Online Access: | http://ndltd.ncl.edu.tw/handle/7q8qnz |