Applications of Topological Methods in Molecular Chemistry

Part I. Topological Methods : Definition, State of the Art and Prospects.- 1. On quantum chemical topology.- 2. Localization-Delocalization and Electron Density-Weighted Connectivity Matrices: A Bridge Between the Quantum Theory of Atoms in Molecules and Chemical Graph Theory.- 3. Extending the Topological Analysis and Seeking the Real-Space Subsystems: The Case of Non-Coulombic Systems with Homogenous Potential Energy Functions.- 4. Exploring Chemistry Through the Source Function for the Electron and Spin Densities.- 5. Emergent Scalar and Vector Fields in Quantum Chemical Topology.- 6. Topology of Quantum Mechanical Current Density Vector Fields Induced in a Molecule by Static Magnetic Perturbations.- 7. Topological Analysis of the Fukui Function.- 8. Topological Tools for the Study of Families of Reaction Mechanisms: the Fundamental Groups of Potential Surfaces in the Universal Molecule Context.- 9. Quantum Chemical Topology Approach for Dissecting Chemical Structure and Reactivity.- Part II. Topological Methods for the Characterization of p-Electron Delocalization and Aromaticity.- 10. Paradise Lost - p-Electron Conjugation in Homologs and Derivatives of Perylene.- 11. Rules of Aromaticity.- 12. Localized Structures at the Hückel Level, a Hückel-Derived Valence Bond Method.- 13. Magnetic Properties of Conjugated Hydrocarbons from Topological Hamiltonians.- Part III. Topological Methods for the Characterization of Weak Bonding Interactions.- 14. What Can be Learnt from a Location of Bond Paths and from Electron Density Distribution?.- 15. Following Halogen Bonds Formation with Bader’s Atoms-in-Molecules Theory.- 16. Charge Transfer in Beryllium Bonds and Cooperativity of Beryllium and Halogen Bonds.- 17. A Complete NCI Perspective: From New Bonds to Reactivity.- 18. Diversity of the Nature of the Nitrogen-Oxygen Bond in Inorganic and Organic Nitrites in the Light of Topological Analysis of Electron Localisation Function (ELF).- 19. Quantum Chemical Topology in the Field of Quasirelativistic Quantum Calculations.