M. C. Valero

发表

Nucleation ofPdn(n=1–5)clusters and wetting of Pd particles onγ−Al2O3surfaces: A density functional theory study

Philippe Sautet, Pascal Raybaud, P. Sautet, 2007 .

DFT Study of the Interaction of a single Palladium Atom with γ-Alumina Surfaces: the Role of Hydroxylation

P. Sautet, P. Raybaud, M. Digne, 2006 .

Influence of the hydroxylation of gamma-Al2O3 surfaces on the stability and diffusion of single Pd atoms: a DFT study.

Philippe Sautet, Pascal Raybaud, P. Sautet, 2006, The journal of physical chemistry. B.

Phosphate Adsorption on γ-Alumina: A Surface Complex Model Based on Surface Characterization and Zeta Potential Measurements

G. Pirngruber, G. Lefèvre, T. Corre, 2021, The Journal of Physical Chemistry C.

Interplay between molecular adsorption and metal–support interaction for small supported metal clusters: CO and C2H4 adsorption on Pd4/γ-Al2O3

Philippe Sautet, Pascal Raybaud, P. Sautet, 2007 .

Competitive Deposition of C and O Species on Cobalt Surface in Fischer–Tropsch Synthesis Conditions: A Plausible Origin of Deactivation

Pascal Raybaud, P. Raybaud, Manuel Corral Valero, 2015 .

Stability of Carbon on Cobalt Surfaces in Fischer–Tropsch Reaction Conditions: A DFT Study

Pascal Raybaud, P. Raybaud, Manuel Corral Valero, 2014 .

Computational chemistry approaches for the preparation of supported catalysts: Progress and challenges

P. Raybaud, M. C. Valero, 2020 .

On the performance of four-component relativistic density functional theory: Spectroscopic constants and dipole moments of the diatomics HX and XY (X,Y=F, Cl, Br, and I)

O. Gropen, T. Saue, M. C. Valero, 2003 .

An Atomistic Description of the γ-Alumina/Water Interface Revealed by Ab Initio Molecular Dynamics

D. Costa, P. Raybaud, M. C. Valero, 2017 .

Malonate Complexes at γ-alumina Surface Determined by A Multi-technique Characterization Approach and A Surface Complex Model

G. Pirngruber, G. Lefèvre, T. Corre, 2021, Colloids and Surfaces A: Physicochemical and Engineering Aspects.