| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394685 | Computational and Theoretical Chemistry | 2012 | 8 Pages |
Abstract
⺠Alnâ1Mg cluster have been investigated firstly at B3LYP/6-311G(d) level. ⺠The charge transfer from 3s of Mg to 3p states of Al and lead to s-p hybridization. ⺠The Mg atom prefers to stay away from the center of Alnâ1Mg clusters from n = 7.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yifang Ouyang, Peng Wang, Peng Xiang, Hongmei Chen, Yong Du,