| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383991 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠Non-IPR isomers have been taken into account in the study of La3N@C92 system. ⺠126 359:C2 isomer is suggested as the most suitable host cage of La3N cluster. ⺠The electron transfer is mainly attributed to the 6s orbital of La atoms.
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Physical and Theoretical Chemistry
Authors
Jiajia Zheng, Xiang Zhao, Jingshuang Dang, Yongmei Chen, Qian Xu, Weiwei Wang,