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

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

Density functional theory in surface chemistry and catalysis

(2011) J. K. Norskov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions

(2010) Shengguang Wang et al.   CATALYSIS LETTERS

Understanding Trends in Catalytic Activity: The Effect of Adsorbate–Adsorbate Interactions for CO Oxidation Over Transition Metals

(2010) Lars C. Grabow et al.   TOPICS IN CATALYSIS

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Reaction selectivity in heterogeneous catalysis

(2009) Gabor A. Somorjai et al.  

Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces

(2008) Eva M. Fernández et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Correlating hydrogenation activity with binding energies of hydrogen and cyclohexene on M/Pt(111) (M = Fe, Co, Ni, Cu) bimetallic surfaces

(2008) M HUMBERT et al.   JOURNAL OF CATALYSIS

First principles calculations and experimental insight into methane steam reforming over transition metal catalysts

(2008) G JONES et al.   JOURNAL OF CATALYSIS

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

(2008) F. Studt et al.   SCIENCE

Reactivity descriptors for direct methanol fuel cell anode catalysts

(2008) Peter Ferrin et al.   SURFACE SCIENCE