Intro -- Foreword -- Preface -- Acknowledgments -- Contents -- About the Authors -- 1 An Introduction to Electron Localization-Delocalization Matrices -- References -- 2 The Physics of Electron Localization and Delocalization -- 2.1 What do we mean by Electron (De)Localization? -- 2.2 Pauli's Exclusion Principle and the Formation of Localized Electron Pairs -- 2.3 Conclusions -- References -- 3 The Quantum Theory of Atoms in Molecules and Electron Localization and Delocalization -- 3.1 The Electron Density: Introductory Concepts -- 3.2 From the Topography of the Electron Density to the Topology of a Bonded Structure -- 3.3 The Zero-Flux Surface as a Condition for a Well-Defined Quantum Subsystem -- 3.4 Examples of Properties of Atoms in Molecules -- 3.4.1 Examples of Bond Properties -- 3.4.2 Examples of Atomic Properties -- 3.5 Localization of Electrons within and their Delocalization between Atoms in a Molecule -- 3.6 The Delocalization Indices and Chemical Bonding by Example -- 3.6.1 Bonding to Titanium -- 3.6.2 Delocalization Indices and NMR Spin-Spin Coupling Constants -- 3.7 The Electron Localization-Delocalization Matrix (LDM) -- 3.8 The Interacting Quantum Atoms (IQA) Matrix (IQAM) -- 3.9 Closing Remarks -- References -- 4 Localization-Delocalization Matrix Representation of Molecules -- 4.1 Networks, Graphs, and Matrices: General Considerations -- 4.2 The Molecule as an Incomplete Network of Bond Paths -- 4.3 The Molecule |