State-of-the-art and challenges in theoretical simulations of heterogeneous catalysis at the microscopic level

Núria López, Neyvis Almora‐Barrios, Giuliano Carchini, Piotr Błoński, Luca Bellarosa, Rodrigo García‐Muelas, Gerard Novell-Leruth, Mónica García‐Mota

Catalysis Science & Technology · 2012 · 41 citations · 133 references

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Abstract

The state-of-the-art and nearest challenges of theoretical modeling in heterogeneous catalysis are presented to guide newcomers to the field.

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133