Cobalt Catalyzed Fischer–Tropsch Synthesis: Perspectives Opened by First Principles Calculations

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

Natural Sciences, Physics, Condensed Matter Physics +15

Mechanisms of catalyst deactivation

Calvin H. Bartholomew · Applied Catalysis A General · 2001 · 3K citations

Natural Sciences, Chemical Engineering, Chemistry +12

The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis

Thomas Bligaard, Jens K. Nørskov, Søren Dahl et al. · Journal of Catalysis · 2004 · 1.7K citations

Natural Sciences, Chemical Engineering, Chemistry +14

The catalytic synthesis of hydrocarbons from H2/CO mixtures over the group VIII metals I. The specific activities and product distributions of supported metals

M. Albert Vannice · Journal of Catalysis · 1975 · 700 citations

Natural Sciences, Chemical Engineering, Chemistry +14

General Rules for Predicting Where a Catalytic Reaction Should Occur on Metal Surfaces:  A Density Functional Theory Study of C−H and C−O Bond Breaking/Making on Flat, Stepped, and Kinked Metal Surfaces

Zhi‐Pan Liu, P. Hu · Journal of the American Chemical Society · 2003 · 617 citations

Natural Sciences, Chemistry, Materials Science +17