CatApp: A Web Application for Surface Chemistry and Heterogeneous Catalysis

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

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

Finite Size Effects in Chemical Bonding: From Small Clusters to Solids

(2011) J. Kleis et al.   CATALYSIS LETTERS

Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces

(2011) Glenn Jones et al.   CHEMICAL ENGINEERING SCIENCE

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

(2011) Steeve Chrétien et al.   Journal of Physical Chemistry C

Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation

(2011) L. C. Grabow et al.   ACS Catalysis

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

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

Water-gas shift reaction on oxide/Cu(111): Rational catalyst screening from density functional theory

(2010) Ping Liu   JOURNAL OF CHEMICAL PHYSICS

Theoretical Simulation of n-Alkane Cracking on Zeolites

(2010) Joseph A. Swisher et al.   Journal of Physical Chemistry C

Simple model explaining and predicting coverage-dependent atomic adsorption energies on transition metal surfaces

(2010) Nilay İnoğlu et al.   PHYSICAL REVIEW B

Fast Prediction of Selectivity in Heterogeneous Catalysis from Extended Brønsted-Evans-Polanyi Relations: A Theoretical Insight

(2009) David Loffreda et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

(2009) J. Greeley et al.   Nature Chemistry

Correlations in coverage-dependent atomic adsorption energies on Pd(111)

(2009) John R. Kitchin   PHYSICAL REVIEW B

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

(2008) G JONES et al.   JOURNAL OF CATALYSIS

Thermodynamics of Environment-Dependent Oxygen Chemisorption on Pt(111)

(2008) Rachel B. Getman et al.   Journal of Physical Chemistry C