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Applications of Topological Methods in Molecular Chemistry

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Cover of 'Applications of Topological Methods in Molecular Chemistry'

Table of Contents

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    Book Overview
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    Chapter 1 Topological Approaches of the Bonding in Conceptual Chemistry
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    Chapter 2 On Quantum Chemical Topology
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    Chapter 3 Localization-Delocalization Matrices and Electron Density-Weighted Adjacency/Connectivity Matrices: A Bridge Between the Quantum Theory of Atoms in Molecules and Chemical Graph Theory
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    Chapter 4 Extending the Topological Analysis and Seeking the Real-Space Subsystems in Non-Coulombic Systems with Homogeneous Potential Energy Functions
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    Chapter 5 Exploring Chemistry Through the Source Function for the Electron and the Electron Spin Densities
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    Chapter 6 Emergent Scalar and Vector Fields in Quantum Chemical Topology
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    Chapter 7 Topology of Quantum Mechanical Current Density Vector Fields Induced in a Molecule by Static Magnetic Perturbations
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    Chapter 8 Topological Analysis of the Fukui Function
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    Chapter 9 Topological Tools for the Study of Families of Reaction Mechanisms: The Fundamental Groups of Potential Surfaces in the Universal Molecule Context
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    Chapter 10 Quantum Chemical Topology Approach for Dissecting Chemical Structure and Reactivity
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    Chapter 11 Paradise Lost—π-Electron Conjugation in Homologs and Derivatives of Perylene
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    Chapter 12 Rules of Aromaticity
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    Chapter 13 Localized Structures at the Hückel Level, a Hückel-Derived Valence Bond Method
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    Chapter 14 Magnetic Properties of Conjugated Hydrocarbons from Topological Hamiltonians
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    Chapter 15 What Can Be Learnt from a Location of Bond Paths and from Electron Density Distribution
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    Chapter 16 Following Halogen Bonds Formation with Bader’s Atoms-in-Molecules Theory
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    Chapter 17 Charge Transfer in Beryllium Bonds and Cooperativity of Beryllium and Halogen Bonds. A New Perspective
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    Chapter 18 A Complete NCI Perspective: From New Bonds to Reactivity
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    Chapter 19 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)
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    Chapter 20 Quantum Chemical Topology in the Field of Quasirelativistic Quantum Calculations
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