Reactivity Index Relations in Theoretical Heterogeneous Catalysis

R.A. Santen, van; M. Neurock

doi:10.1002/9783527610044.hetcat0076

Reactivity Index Relations in Theoretical Heterogeneous Catalysis

R.A. Santen, van
, M. Neurock

Research output: Chapter in Book/Report/Conference proceeding › Chapter › Academic

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Abstract

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 Curves

Original language	English
Title of host publication	Handbook of Heterogeneous Catalysis
Editors	G. Ertl, H. Knözinger, F. Schüth
Place of Publication	Weinheim
Publisher	Wiley-VCH Verlag
Chapter	5.1.2
Pages	1415-1445
Number of pages	46
ISBN (Print)	978-3-527-31241-2
DOIs	https://doi.org/10.1002/9783527610044.hetcat0076
Publication status	Published - 2008

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title = "Reactivity Index Relations in Theoretical Heterogeneous Catalysis",

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AU - Neurock, M.

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AB - 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 Curves

U2 - 10.1002/9783527610044.hetcat0076

DO - 10.1002/9783527610044.hetcat0076

M3 - Chapter

SN - 978-3-527-31241-2

SP - 1415

EP - 1445

BT - Handbook of Heterogeneous Catalysis

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A2 - Knözinger, H.

A2 - Schüth, F.

PB - Wiley-VCH Verlag

CY - Weinheim

ER -

Reactivity Index Relations in Theoretical Heterogeneous Catalysis

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