This book attempts to survey current understanding about the working of heterogeneous catalysts, with an emphasis on surface chemical bonding in relation to reaction mechanisms.
Concepts in catalysis. 1.1 References -- Chapter 2: Theories of chemisorption. 2.1 Introduction. 2.2 Theoretical intermezzo 1. Background to the extended-Huckel method and other semi-empirical methods. 2.3 Elementary theory of chemisorption. One-dimensional models. 2.3.1 Elementary free-electron gas models. 2.3.2 Tight-binding calculations, all atoms equal; no hybridization. 2.3.3 One-dimensional models, hybridization. 2.3.3.1 Physical background. 2.3.3.2 Elementary quantum chemistry of the Shockley surface state.
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