| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1867162 | Physics Letters A | 2011 | 9 Pages |
Abstract
⺠We examine the electronic and structural properties of M@Si6 (M = Pr, Gd, Ho). ⺠The impurity M in M@Si6â sits on top of the regular pentagonal bipyramid. ⺠The impurity M in M@Si6 becomes a part of the pentagonal ring. ⺠The photoelectron spectra are simulated to compare with the experimental results. ⺠NICS values at various points are calculated to discuss aromaticity.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Physics and Astronomy (General)
Authors
Hui-Fang Li, Xiao-Yu Kuang, Huai-Qian Wang,