Concepedia

Catalyst design: knowledge extraction from high-throughput experimentation

James M. Caruthers, Jochen Lauterbach, Kendall T. Thomson, Venkat Venkatasubramanian, Christopher M. Snively, Aditya Bhan, Santhoji Katare, Gudbjorg Oskarsdottir

Journal of Catalysis · 2003 · 113 citations · 97 references

DOI

Concepts

References

97

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.8K citations

, , +6

A simple measure of electron localization in atomic and molecular systems

Axel D. Becke, Kenneth E. Edgecombe · The Journal of Chemical Physics · 1990 · 7K citations

, , +17

Fourier Transform Infrared Spectrometry

Peter R. Griffiths, James A. de Haseth · 2006 · 3K citations

, , +11

Role of Frontier Orbitals in Chemical Reactions

Kenichi Fukui · Science · 1982 · 2.7K citations

, , +13

Simplifying chemical kinetics: Intrinsic low-dimensional manifolds in composition space

Ulrich Maas, Stephen B. Pope · Combustion and Flame · 1992 · 1.5K citations

, , +16