Additional reading

Free energy calculations:

• Introduction to Computational Chemistry, Third Edition by Frank Jensen.

Energy Span Model:

• How to Conceptualize Catalytic Cycles? The Energetic Span Model by Sebastian Kozuch and Sason Shaik.

• Revisiting Catalytic Cycles: A Broader View through the Energy Span Model by Diego Garay-Ruiz and Carles Bo.

Microkinetic Model:

• Concepts of Modern Catalysis and Kinetics by Ib Chorkendorf and Hans Niemantsverdriet.

• Introduction to Microkinetic Modelling by Ivo Filot.

• Trends in the Catalytic CO Oxidation Activity of Nanoparticles by Hanne Falsig, Britt Hvolbæk, Iben S. Kristensen, Tao Jiang, Thomas Bligaard, Claus H. Christensen, and Jens K. Nørskov.

• The Degree of Rate Control: A Powerful Tool for Catalysis Research by Charles T. Campbell.

• Apparent Activation Energies in Complex Reaction Mechanisms: A Simple Relationship via Degrees of Rate Control by Zhongtian Mao and Charles T. Campbell.

Ideal Reactor Models:

• Elements of Chemical Reaction Engineering by H. Scott Fogler.