Publikationen in Zusammenarbeit mit Forschern von Technical University of Denmark (7)

2014

  1. Trends in hydrodesulfurization catalysis based on realistic surface models

    Catalysis Letters, Vol. 144, Núm. 8, pp. 1425-1432

2011

  1. Universal transition state scaling relations for (de)hydrogenation over transition metals

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 46, pp. 20760-20765

2009

  1. Optical absorption spectra of Ag11 isomers : FFFirst-principles theoretical spectroscopy with time-dependent density functional theory

    European Physical Journal D

2008

  1. Scaling relationships for adsorption energies on transition metal oxide, sulfide, and nitride surfaces

    Angewandte Chemie - International Edition, Vol. 47, Núm. 25, pp. 4683-4686

  2. Theoretical study of oxygen adsorption on pure Aun-1+ and doped MAun+ cationic gold clusters for M = Ti, Fe and n = 3-7

    Journal of Physical Chemistry A, Vol. 112, Núm. 29, pp. 6678-6689

2007

  1. Structure and relative stability of Sin, Sin-, and doped SinM clusters (M =Sc-, Ti, V+) in the range n=14-18

    Journal of Computational Methods in Sciences and Engineering, Vol. 7, Núm. 3-4, pp. 241-256

  2. Theoretical study of isoelectronic Sin M clusters (M= Sc-, Ti, V+; N=14-18)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 75, Núm. 20