검색결과 : 2건
| No. | Article |
|---|---|
| 1 |
Performance of Density Functional Methods. Some Difficult Cases for Small Systems Containing Cu, Ag, or Au Sierraalta A, Anez R, Alejos P Journal of Physical Chemistry A, 117(12), 2619, 2013 |
| 2 |
DFT-ONIOM study of Au/ZSM-5 catalyst: Active sites, thermodynamic and vibrational frequencies Sierraalta A, Alejos P, Ehrmann E, Rodriguez LJ, Ferrer Y Journal of Molecular Catalysis A-Chemical, 301(1-2), 61, 2009 |