Effect of the exchange-correlation potential and of surface relaxation on the description of the H2O dissociation on Cu(111)

Critical Size for O2Dissociation by Au Nanoparticles

(2009) Alberto Roldán et al.   CHEMPHYSCHEM

A one-dimensional ice structure built from pentagons

(2009) Javier Carrasco et al.   NATURE MATERIALS

Topological analysis of catalytic reaction networks: Water gas shift reaction on Cu(111)

(2008) Caitlin A. Callaghan et al.   APPLIED CATALYSIS A-GENERAL

Investigation of highly active Fe-Al-Cu catalysts for water-gas shift reaction

(2008) Lingzhi Zhang et al.   APPLIED CATALYSIS A-GENERAL

Influence of the crystalline structure of ZrO2 on the activity of Cu/ZrO2 catalysts on the water gas shift reaction

(2008) Gonzalo Águila et al.   CATALYSIS COMMUNICATIONS

Catalyst size matters: Tuning the molecular mechanism of the water–gas shift reaction on titanium carbide based compounds

(2008) Francesc Viñes et al.   JOURNAL OF CATALYSIS

Good performance of the M06 family of hybrid meta generalized gradient approximation density functionals on a difficult case: CO adsorption on MgO(001)

(2008) Rosendo Valero et al.   JOURNAL OF CHEMICAL PHYSICS

A molecular view of heterogeneous catalysis

(2008) Claus Hviid Christensen et al.   JOURNAL OF CHEMICAL PHYSICS

On the Mechanism of Low-Temperature Water Gas Shift Reaction on Copper

(2008) Amit A. Gokhale et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-principles study of water on copper and noble metal (110) surfaces

(2008) Jun Ren et al.   PHYSICAL REVIEW B

Effects of noble metal-doping on Cu/ZnO/Al2O3 catalysts for water–gas shift reaction

(2007) Kazufumi Nishida et al.   APPLIED CATALYSIS A-GENERAL

Water gas shift reaction over Cu–Mn mixed oxides catalysts: Effects of the third metal

(2007) Xiaru Du et al.   FUEL PROCESSING TECHNOLOGY

Water–gas shift activity of Au and Cu nanoparticles supported on molybdenum oxides

(2007) J.A. Rodríguez et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL