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Table of Contents
Preface; Acknowledgements; Contents; 1 Reduction: Its Prospects and Limits; 1.1 Introduction; 1.2 Nagel's Concept of Reduction; 1.2.1 Reduction of Laws and Theories; 1.2.1.1 The Formal Requirements; 1.2.1.2 The Informal Requirements; 1.2.2 Critique and Development of Nagel's ReductionScheme; 1.2.3 Nagelian Reduction: A Semi-formal Proposal; 1.2.3.1 A Generalised Model; 1.2.3.2 The Generalised Model Explicated: Kuipers' Five Step Model; 1.3 Unity Without Reduction: Interfield Theories; 1.4 Reconciling Reductive and Non-reductive Approaches
1.5 Conclusion: A Programme for the Philosophy of ChemistryPart I Networks of Theories; Summary of Part I; 2 Explaining the Chemical Bond: Idealisation and Concretisation; 2.1 Introduction; 2.2 What Is a Chemical Bond?; 2.3 The Quantum Theory of the Chemical Bond: A Rational Reconstruction; 2.3.1 Two Ways of Constructing the Hydrogen Molecular Wavefunction; 2.3.1.1 The VB Theory of the Chemical Bond and Valence; 2.3.1.2 Molecular Spectra and MO Theory; 2.3.1.3 Equivalence: Comparing the Wavefunctions; 2.3.2 Amendments: A Sort of Quantum Theory
2.3.2.1 Pauling and Slater's Model of Hybridisation2.3.2.2 Localisation of Molecular Orbitals; 2.4 Idealisation, Concretisation and Reduction; 2.4.1 Domains of the `Chemical Bond'; 2.4.2 Explaining the Chemical Bond with Multiple Domains: A Case of Reduction; 2.4.3 Consequences; 2.5 Conclusion; 3 Molecular Structure: What Philosophers Got Wrong; 3.1 Introduction; 3.2 An Overview of the Philosophical Literature on Molecular Shape; 3.3 A Rational Reconstruction of Molecular Hamiltonians; 3.3.1 Molecular Structure in Quantum Chemistry; 3.3.2 History of the Born-Oppenheimer Approximation
3.3.2.1 Molecular Rotations and Vibrations3.3.3 The Modern Born-Oppenheimer Approximation; 3.3.4 Does Quantum Theory Support Molecular Shape?; 3.3.5 Löwdin's Notion of a Molecule; 3.4 Reevaluating Reduction; 3.5 Conclusion; 4 Unity of Chemistry and Physics: The Theory of Absolute Reaction Rates; 4.1 Introduction; 4.2 Reaction Rate Theory: Its History and Structure; 4.2.1 Chemical Reaction Rates; 4.2.1.1 The Arrhenius Equation; 4.2.1.2 Collision Theory; 4.2.2 The Theory of Absolute Reaction Rates; 4.2.2.1 Quantum Chemistry and Potential Energy Surfaces; 4.2.2.2 Statistical Mechanics
4.2.2.3 Thermodynamic Formulation4.2.2.4 Competing Formulations of the Fundamental Theories; 4.2.3 Wigner's `three threes'; 4.2.4 Summary; 4.3 Explanation with a Network of Theories: Reductive `interfield' Theories; 4.3.1 A Theory Net; 4.3.2 Specification of the Relationships; 4.3.3 Reductive Strength qua Conceptual Strength; 4.4 Conclusion: Theoretical Patchwork; 5 Quantum Chemistry as a Research Programme; 5.1 Introduction; 5.2 How Quantum Chemistry Explains: A Brief Reconstruction; 5.2.1 The Process of Quantum Chemistry; 5.2.2 Characterisation of Quantum Chemistry as a Research Programme; 5.3 Quantum Chemistry: A Lakatosian Reconstruction.
1.5 Conclusion: A Programme for the Philosophy of ChemistryPart I Networks of Theories; Summary of Part I; 2 Explaining the Chemical Bond: Idealisation and Concretisation; 2.1 Introduction; 2.2 What Is a Chemical Bond?; 2.3 The Quantum Theory of the Chemical Bond: A Rational Reconstruction; 2.3.1 Two Ways of Constructing the Hydrogen Molecular Wavefunction; 2.3.1.1 The VB Theory of the Chemical Bond and Valence; 2.3.1.2 Molecular Spectra and MO Theory; 2.3.1.3 Equivalence: Comparing the Wavefunctions; 2.3.2 Amendments: A Sort of Quantum Theory
2.3.2.1 Pauling and Slater's Model of Hybridisation2.3.2.2 Localisation of Molecular Orbitals; 2.4 Idealisation, Concretisation and Reduction; 2.4.1 Domains of the `Chemical Bond'; 2.4.2 Explaining the Chemical Bond with Multiple Domains: A Case of Reduction; 2.4.3 Consequences; 2.5 Conclusion; 3 Molecular Structure: What Philosophers Got Wrong; 3.1 Introduction; 3.2 An Overview of the Philosophical Literature on Molecular Shape; 3.3 A Rational Reconstruction of Molecular Hamiltonians; 3.3.1 Molecular Structure in Quantum Chemistry; 3.3.2 History of the Born-Oppenheimer Approximation
3.3.2.1 Molecular Rotations and Vibrations3.3.3 The Modern Born-Oppenheimer Approximation; 3.3.4 Does Quantum Theory Support Molecular Shape?; 3.3.5 Löwdin's Notion of a Molecule; 3.4 Reevaluating Reduction; 3.5 Conclusion; 4 Unity of Chemistry and Physics: The Theory of Absolute Reaction Rates; 4.1 Introduction; 4.2 Reaction Rate Theory: Its History and Structure; 4.2.1 Chemical Reaction Rates; 4.2.1.1 The Arrhenius Equation; 4.2.1.2 Collision Theory; 4.2.2 The Theory of Absolute Reaction Rates; 4.2.2.1 Quantum Chemistry and Potential Energy Surfaces; 4.2.2.2 Statistical Mechanics
4.2.2.3 Thermodynamic Formulation4.2.2.4 Competing Formulations of the Fundamental Theories; 4.2.3 Wigner's `three threes'; 4.2.4 Summary; 4.3 Explanation with a Network of Theories: Reductive `interfield' Theories; 4.3.1 A Theory Net; 4.3.2 Specification of the Relationships; 4.3.3 Reductive Strength qua Conceptual Strength; 4.4 Conclusion: Theoretical Patchwork; 5 Quantum Chemistry as a Research Programme; 5.1 Introduction; 5.2 How Quantum Chemistry Explains: A Brief Reconstruction; 5.2.1 The Process of Quantum Chemistry; 5.2.2 Characterisation of Quantum Chemistry as a Research Programme; 5.3 Quantum Chemistry: A Lakatosian Reconstruction.