Publications en collaboration avec des chercheurs de 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