| 1 |
NO and NO2 adsorption on subsurface doped MgO (100) and BaO (100) surfaces. A density functional study
Anez R, Sierraalta A, Soto LJD
Applied Surface Science, 404, 216, 2017 |
| 2 |
A reinvestigation of the CO vibration frequency as a probe to determine the species of Au in the Au/MOR catalyst
Soto LJD, Sierraalta A, Anez R, Nascimento MAC
Applied Catalysis A: General, 526, 53, 2016 |
| 3 |
Periodic DFT study of Ti deposition on defective Si(100) surfaces
Anez R, Sierraalta A, Diaz L, Bastardo A, Coll D
Applied Surface Science, 335, 160, 2015 |
| 4 |
Density functional study of NO adsorption on undefected and oxygen defective Au-BaO(1 0 0) surfaces
Anez R, Sierraalta A, Bastardo A, Coll D, Garcia B
Applied Surface Science, 307, 165, 2014 |
| 5 |
Role of the Si-Si bond stability in the first stages of Ti diffusion on a Si(111) 2 x 1 surface. A periodic DFT study
Anez R, Sierraalta A, San-Miguel MA, Sanz JF
Applied Surface Science, 273, 496, 2013 |
| 6 |
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 |
| 7 |
Nitrogen oxides and SO2 adsorption on Au/MOR catalyst: Adsorption sites, thermodynamic and vibrational frequencies. ONIOM study
Sierraalta A, Diaz L, Anez R
Journal of Molecular Catalysis A-Chemical, 363, 380, 2012 |
| 8 |
Direct catalytic decomposition of NO with Cu-ZSM-5: A DFT-ONIOM study
Izquierdo R, Rodriguez LJ, Anez R, Sierraalta A
Journal of Molecular Catalysis A-Chemical, 348(1-2), 55, 2011 |
| 9 |
Interaction of CO Molecule with Au/MOR Catalyst: ONIOM-PM6 Study, Active Sites, Thermodynamic and Vibrational Frequencies
Sierraalta A, Anez R, Diaz L, Gomperts R
Journal of Physical Chemistry A, 114(25), 6870, 2010 |
| 10 |
ONIOM study of Ga/SAPO-II catalyst: Species formation and reactivity
Sierraalta A, Anez R, Ehrmann E
Journal of Molecular Catalysis A-Chemical, 271(1-2), 185, 2007 |
