C-N coupling on transition metal surfaces: A density functional theory study

Descriptor-Based Analysis Applied to HCN Synthesis from NH3 and CH4

(2011) Lars C. Grabow et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanistic Switch between Oxidative (Andrussow) and Nonoxidative (Degussa) Formation of HCN on Pt(111) by Density Functional Theory

(2011) Jaime Gómez-Díaz et al.   Journal of Physical Chemistry C

Improved lattice constants, surface energies, and CO desorption energies from a semilocal density functional

(2011) Jianwei Sun et al.   PHYSICAL REVIEW B

Mechanistic aspects of the Andrussow process over Pt-Rh gauzes. Effect of gauze morphology and oxygen coverage on primary O2–NH3–CH4 interactions

(2010) V.A. Kondratenko et al.   APPLIED CATALYSIS A-GENERAL

A Density Functional Theory study on gold cyanide interactions: The fundamentals of ore cleaning

(2010) Jaime Gómez-Díaz et al.   SURFACE SCIENCE

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

Trends in the Catalytic CO Oxidation Activity of Nanoparticles

(2008) Hanne Falsig et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION