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Graph Theoretical Approaches to Chemical Reactivity

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Cover of 'Graph Theoretical Approaches to Chemical Reactivity'

Table of Contents

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    Book Overview
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    Chapter 1 Introduction to Graph Theory
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    Chapter 2 The Interplay Between Graph Theory and Molecular Orbital Theory
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    Chapter 3 Topological Control of Molecular Orbital Theory: A Comparison of µ 2 -Scaled Hückel Theory and Restricted Hartree-Fock Theory for Boranes and Carboranes
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    Chapter 4 Polyhedral Dynamics
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    Chapter 5 Reaction Graphs
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    Chapter 6 Discrete Representations of Three-Dimensional Molecular Bodies and Their Shape Changes in Chemical Reactions
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    Chapter 7 The Invariance of Molecular Topology in Chemical Reactions
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    Chapter 8 Topological Indices and Chemical Reactivity
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    Chapter 9 Graph-Theoretical Models of Complex Reaction Mechanisms and their Elementary Steps
Attention for Chapter 8: Topological Indices and Chemical Reactivity
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