| 1 |
Structural and Electronic Properties of TMn[(BN)(3)H-6](m) Complexes with TM = Co (n, m=1-3) and with TM = Fe, Ni, Ru, Rh, Pd (n = m=1-3)
Aguilera-Granja F, Aguilera-del-Toro RH, Vega A, Balbas LC
Journal of Physical Chemistry A, 118(16), 2976, 2014 |
| 2 |
Adsorption of H, H-2, and H2O inside and outside of (M@Si16F)(6) tubelike aggregates and wires (M = V, Ta). A first principles study
Cantera-Lopez H, Fernandez EM, Balbas LC, Borstel G
Materials Chemistry and Physics, 139(1), 247, 2013 |
| 3 |
Structural, Electronic, and Magnetic Properties Of ConCum Nanoalloys (m plus n=12) from First Principles Calculations
Aguilera-Granja F, Torres MB, Vega A, Balbas LC
Journal of Physical Chemistry A, 116(37), 9353, 2012 |
| 4 |
Ab Initio Study of the Adsorption of NO on the Rh-6(+) Cluster
Torres MB, Aguilera-Granja F, Balbas LC, Vega A
Journal of Physical Chemistry A, 115(30), 8350, 2011 |
| 5 |
Study of the Structural and Electronic Properties of Rh-N and Ru-N Clusters (N < 20) within the Density Functional Theory
Aguilera-Granja F, Balbas LC, Vega A
Journal of Physical Chemistry A, 113(48), 13483, 2009 |
| 6 |
Theoretical study of oxygen adsorption on pure Au-n+1(+) and doped MAun+ cationic gold clusters for M = Ti, Fe and n=3-7
Torres MB, Fernandez EM, Balbas LC
Journal of Physical Chemistry A, 112(29), 6678, 2008 |
| 7 |
Theoretical study of CO adsorption on gold/alumina substrates
Fernandez EM, Balbas LC
Journal of Physical Chemistry B, 110(21), 10449, 2006 |
| 8 |
Theoretical study of O-2 and CO adsorption on Au-n clusters (n=5-10)
Fernandez EM, Ordejon P, Balbas LC
Chemical Physics Letters, 408(4-6), 252, 2005 |
| 9 |
First principles calculation of the geometric and electronic structure of (Al2O3)(n)(O-x) clusters with n < 15 and x=0, 1, 2
Fernandez EM, Balbas LC, Borstel G, Soler JM
Thin Solid Films, 428(1-2), 206, 2003 |
