Reactivity Index Relations in Theoretical Heterogeneous Catalysis

The sections in this article are 1 Introduction 2 Elementary Quantum-Chemical Theory of Chemisorption 3 Relationship with .. the Average Valence Electron Band Position4 Bond Order Conservation and Pauli Repulsion 5 Activation of Molecules 5.1 The Loose Transition State 5.2 The Tight Transition State 6 Structure-Dependent and -Independent Reactivity 7 Surface Reconstruction8 The Sabatier Principle ; Volcano Curve