S. Chrétien

发表

Density Functional Study of the CO Oxidation on a Doped Rutile TiO2(110): Effect of Ionic Au in Catalysis

Horia Metiu, H. Metiu, S. Chrétien, 2006 .

Where does the planar-to-nonplanar turnover occur in small gold clusters?

M. Musiał, S. Kucharski, P. Piecuch, 2005, Journal of the American Chemical Society.

The nucleation sites of Ag clusters grown by vapor deposition on a TiO2(110)-1×1 surface

H. Metiu, S. Buratto, X. Tong, 2005 .

Electronic Structure of Partially Reduced Rutile TiO2(110) Surface: Where Are the Unpaired Electrons Located?

H. Metiu, S. Chrétien, 2011 .

On simple, accurate calculations of atomic charges, bond properties and molecular energies. II. Theoretical background

S. Fliszar, S. Chrétien, 2004 .

Kohn–Sham density-functional study of the adsorption of acetylene and vinylidene on iron clusters, Fen/Fen+ (n=1–4)

D. Salahub, S. Chrétien, 2003 .

Chemistry of Lewis Acid–Base Pairs on Oxide Surfaces

H. Metiu, Xiaoying Sun, Zhenpeng Hu, 2012 .

Catalysis by Very Small Au Clusters

H. Metiu, S. Buratto, S. Chrétien, 2007 .

Acid–Base Interaction and Its Role in Alkane Dissociative Chemisorption on Oxide Surfaces

H. Metiu, S. Chrétien, 2014 .

Hydrogen Dissociative Adsorption on Lanthana: Polaron Formation and the Role of Acid–Base Interactions

H. Metiu, S. Chrétien, 2015 .

Kohn–Sham density-functional study of the formation of benzene from acetylene on iron clusters, Fe/Fen+ (n=1–4)

D. Salahub, S. Chrétien, 2003 .

On simple, accurate calculations of atomic charges, bond properties and molecular energies. III. Oxygen-containing organic molecules

S. Fliszar, S. Chrétien, 2004 .

Binding of propene on small gold clusters and on Au(111): simple rules for binding sites and relative binding energies.

M. Gordon, H. Metiu, S. Chrétien, 2004, The Journal of chemical physics.

Density functional study of the interaction between small Au clusters, Au(n) (n=1-7) and the rutile TiO(2) surface. I. Adsorption on the stoichiometric surface.

H. Metiu, S. Chrétien, 2007, The Journal of chemical physics.

O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface precovered with Au1 and Au2: the importance of spin conservation.

H. Metiu, S. Chrétien, 2008, The Journal of chemical physics.

Control of Catalytic Reactions at the Surface of a Metal Oxide Nanowire by Manipulating Electron Density Inside It

Martin Moskovits, A. Kolmakov, M. Moskovits, 2004 .

Oxygen Adsorption on Irreducible Oxides Doped with Higher Valence Ions: O2 Binding to the Dopant

H. Metiu, S. Chrétien, 2014 .

DFT Study of the Electronic Properties of LaOCl Surfaces

H. Metiu, S. Chrétien, 2012 .

Kohn-Sham density-functional study of low-lying states of the iron clusters Fe n + / Fe n / Fe n − ( n = 1 – 4 )

D. Salahub, S. Chrétien, 2002 .

Enhanced adsorption energy of Au1 and O2 on the stoichiometric TiO2(110) surface by coadsorption with other molecules.

H. Metiu, S. Chrétien, 2008, The Journal of chemical physics.

Density functional study of the interaction between small Au clusters, Au(n) (n=1-7) and the rutile TiO2 surface. II. Adsorption on a partially reduced surface.

H. Metiu, S. Chrétien, 2007, The Journal of chemical physics.

Density functional study of the charge on Aun clusters (n=1-7) supported on a partially reduced rutile TiO2(110): are all clusters negatively charged?

H. Metiu, S. Chrétien, 2007, The Journal of chemical physics.

Chapter 4 Aun and Agn (n=1–8) nanocluster catalysts: gas-phase reactivity to deposited structures

H. Metiu, M. Bowers, P. Kemper, 2007 .

Direct Visualization of Water-Induced Relocation of Au Atoms from Oxygen Vacancies on a TiO2(110) Surface

H. Metiu, M. Bowers, S. Buratto, 2010 .

Pinning mass-selected Agn clusters on the TiO2(110)-1x1 surface via deposition at high kinetic energy.

H. Metiu, M. Bowers, P. Kemper, 2005, The Journal of chemical physics.

Density Functional Study of the Adsorption of Propene on Silver Clusters, Agqm (m=1–5; q=0, +1)

M. Gordon, H. Metiu, S. Chrétien, 2004 .

Density functional study of the adsorption of propene on mixed gold-silver clusters, AunAgm: Propensity rules for binding

M. Gordon, H. Metiu, S. Chrétien, 2004 .

On simple, accurate calculations of atomic charges, bond properties and molecular energies. IV. Butane gauche interactions and vibrational energies of alkylcyclohexanes and related polycyclic hydrocarbons

S. Fliszar, É. Vauthier, S. Chrétien, 2004 .

On simple, accurate calculations of atomic charges, bond properties and molecular energies

S. Fliszar, S. Chrétien, 2002 .

On simple, accurate calculations of atomic charges, bond properties and molecular energies. V. Conformational features of alkylcyclohexanes and related polycyclic hydrocarbons

S. Fliszar, É. Vauthier, S. Chrétien, 2004 .