| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385562 | Chemical Physics Letters | 2010 | 4 Pages |
Abstract
A reaction barrier for the Al13-+O2 reaction is not produced in DFT calculations due to the deficiency of GGA functionals.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Q.H. Yuan, J.B. Li, X.L. Fan, W.M. Lau, Zhi-Feng Liu,