A density functional theory study of the ‘mythic’ Lindlar hydrogenation catalyst

Interplay between carbon monoxide, hydrides, and carbides in selective alkyne hydrogenation on palladium

(2010) Mónica García-Mota et al.   JOURNAL OF CATALYSIS

Carbon in palladium catalysts: A metastable carbide

(2010) Nicola Seriani et al.   JOURNAL OF CHEMICAL PHYSICS

Cooperative Effects in Ternary Cu−Ni−Fe Catalysts Lead to Enhanced Alkene Selectivity in Alkyne Hydrogenation

(2010) Blaise Bridier et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-principles calculations of the initial incorporation of carbon into flat and stepped Pd surfaces

(2010) L. Nykänen et al.   PHYSICAL REVIEW B

Structure and Energetics of Azobenzene on Ag(111): Benchmarking Semiempirical Dispersion Correction Approaches

(2010) G. Mercurio et al.   PHYSICAL REVIEW LETTERS

DFT study on complete ethylene decomposition on flat and stepped Pd

(2010) J. Andersin et al.   SURFACE SCIENCE

Hydrogenation of acetylene–ethylene mixtures over Pd and Pd–Ag alloys: First-principles-based kinetic Monte Carlo simulations

(2009) Donghai Mei et al.   JOURNAL OF CATALYSIS

Partial hydrogenation of propyne over copper-based catalysts and comparison with nickel-based analogues

(2009) Blaise Bridier et al.   JOURNAL OF CATALYSIS

Vinyl Acetate Synthesis on Homogeneous and Heterogeneous Pd-Based Catalysts: A Theoretical Analysis on the Reaction Mechanisms#

(2009) José J. Plata et al.   JOURNAL OF PHYSICAL CHEMISTRY A

DFT Study on the Complex Reaction Networks in the Conversion of Ethylene to Ethylidyne on Flat and Stepped Pd

(2009) J. Andersin et al.   Journal of Physical Chemistry C

Selective Homogeneous and Heterogeneous Gold Catalysis with Alkynes and Alkenes: Similar Behavior, Different Origin

(2008) Mónica García-Mota et al.   CHEMPHYSCHEM

Adsorption of Naphthalene and Quinoline on Pt, Pd and Rh: A DFT Study

(2008) Gianluca Santarossa et al.   CHEMPHYSCHEM

Pd catalysed hexyne hydrogenation modified by Bi and by Pb

(2008) J ANDERSON et al.   JOURNAL OF CATALYSIS

Template Effects in Vinyl Acetate Synthesis on PdAu Surface Alloys: A Density Functional Theory Study

(2008) Mónica García-Mota et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Roles of Subsurface Carbon and Hydrogen in Palladium-Catalyzed Alkyne Hydrogenation

(2008) D. Teschner et al.   SCIENCE

Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene

(2008) F. Studt et al.   SCIENCE