Publications by authors named "LC Balbas"

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Sequential adsorption of multiple CO molecules on Au and AuZn triangular clusters: the crucial role of a single atomic impurity.
Eva M Fernández, Luis C Balbás

Phys Chem Chem Phys· February 2025

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Adsorption of multiple NO molecules on Au and AuZn planar clusters. A comparative DFT study.
Eva M Fernández, Luis C Balbás

Phys Chem Chem Phys· July 2023

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Interactions of nitric oxide molecules with pure and oxidized silver clusters Ag /AgO (n=11-13): A computational study.
Eva M Fernández, Luis C Balbás

J Chem Phys· August 2022

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Study of odd-even effects in physisorption and chemisorption of Ar, N, O and NO on open shell Ag clusters by means of self-consistent van der Waals density functional calculations.
Eva M Fernández, Luis C Balbás

Phys Chem Chem Phys· December 2019

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Hydrogen Chemisorption on Singly Vanadium-Doped Aluminum Clusters.
Jan Vanbuel, Eva M Fernández, Piero Ferrari, Sandy Gewinner, Wieland Schöllkopf

Chemistry· November 2017

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Structure, fragmentation patterns, and magnetic properties of small nickel oxide clusters.
R H Aguilera-Del-Toro, F Aguilera-Granja, L C Balbás, A Vega

Phys Chem Chem Phys· January 2017

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Multiple adsorption of molecular oxygen on small Au/Pd cationic clusters at finite temperature. A van der Waals density functional study.
Eva María Fernández, Luis Carlos Balbás

J Chem Phys· June 2016

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New structural and electronic properties of (TiO2)10.
F Aguilera-Granja, A Vega, L C Balbás

J Chem Phys· June 2016

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Structure, fragmentation patterns, and magnetic properties of small cobalt oxide clusters.
R H Aguilera-del-Toro, F Aguilera-Granja, A Vega, L C Balbás

Phys Chem Chem Phys· October 2014

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Titanium embedded cage structure formation in Al(n)Ti+ clusters and their interaction with Ar.
M B Torres, A Vega, F Aguilera-Granja, L C Balbás

J Chem Phys· May 2014

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Structural and electronic properties of TM(n)[(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).
F Aguilera-Granja, R H Aguilera-del-Toro, A Vega, L C Balbás

J Phys Chem A· April 2014

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Theoretical study of Al(n)V+ clusters and their interaction with Ar.
Eva María Fernández, Andrés Vega, Luis Carlos Balbás

J Chem Phys· December 2013

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Antiferromagnetic-like coupling in the cationic iron cluster of thirteen atoms.
P G Alvarado-Leyva, F Aguilera-Granja, L C Balbás, A Vega

Phys Chem Chem Phys· September 2013

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Structural, electronic, and magnetic properties Of Co(n)Cu(m) nanoalloys (m + n = 12) from first principles calculations.
F Aguilera-Granja, M B Torres, A Vega, L C Balbás

J Phys Chem A· September 2012

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GGA versus van der Waals density functional results for mixed gold/mercury molecules and pure Au and Hg cluster properties.
Eva M Fernández, Luis C Balbás

Phys Chem Chem Phys· December 2011

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Ab initio study of the adsorption of NO on the Rh6(+) cluster.
M B Torres, F Aguilera-Granja, L C Balbás, A Vega

J Phys Chem A· August 2011

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Study of the structural and electronic properties of Rh(N) and Ru(N) clusters (N < 20) within the density functional theory.
F Aguilera-Granja, L C Balbás, A Vega

J Phys Chem A· December 2009

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Theoretical study of oxygen adsorption on pure Au(n+1)+ and doped MAu(n)+ cationic gold clusters for M = Ti, Fe and n = 3-7.
M Begoña Torres, Eva M Fernández, Luis C Balbás

J Phys Chem A· July 2008

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Theoretical study of CO adsorption on gold/alumina substrates.
Eva M Fernandez, Luis C Balbas

J Phys Chem B· June 2006

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Ab Initio Photoabsorption Spectra and Structures of Small Semiconductor and Metal Clusters.
A Rubio, JA Alonso, X Blase, LC Balbás, SG Louie

Phys Rev Lett· July 1996

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Magnetic and electronic properties of substitutional FeN cluster impurities in Cr: Transition from antiferromagnetic to ferromagnetic FeN.
A Vega, LC Balbás, J Dorantes-Dávila, GM Pastor

Phys Rev B Condens Matter· August 1994

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Topological antiferromagnetism at Cr surfaces and interfaces.
A Vega, LC Balbas, A Chouairi, C Demangeat, H Dreyssé

Phys Rev B Condens Matter· May 1994

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Weighted-density exchange and local-density Coulomb correlation energy functionals for finite systems: Application to atoms.
OV Gritsenko, NA Cordero, A Rubio, LC Balbás, JA Alonso

Phys Rev A· December 1993

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Spin polarization at the Fe/V interface.
A Vega, LC Balbás, H Nait-Laziz, C Demangeat, H Dreyssé

Phys Rev B Condens Matter· July 1993

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Self-consistent local-density approximation with model Coulomb pair-correlation functions for electronic systems.
OV Gritsenko, A Rubio, LC Balbás, JA Alonso

Phys Rev A· March 1993

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