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• Contents
• Preface
• Acknowledgments
• Part 1. Thermodynamics and the Macroscopic Description of Physical Systems
• Chapter 1. The Behavior of Gases and Liquids
• 1.1 Introduction
• 1.2 Systems and States in Physical Chemistry
• 1.3 Real Gases
• 1.4 The Coexistence of Phases and the Critical Point
• Chapter 2. Work, Heat, and Energy: The First Law of Thermodynamics
• 2.1 Work and the State of a System
• 2.2 Heat
• 2.3 Internal Energy: The First Law of Thermodynamics
• 2.4 Calculation of Amounts of Heat and Energy Changes
• 2.5 Enthalpy
• 2.6 Calculation of Enthalpy Changes of Processes without Chemical Reactions
• 2.7 Calculation of Enthalpy Changes of a Class of Chemical Reactions
• 2.8 Calculation of Energy Changes of Chemical Reactions
• Chapter 3. The Second and Third Laws of Thermodynamics: Entropy
• 3.1 The Second Law of Thermodynamics and the Carnot Heat Engine
• 3.2 The Mathematical Statement of the Second Law: Entropy
• 3.3 The Calculation of Entropy Changes
• 3.4 Statistical Entropy
• 3.5 The Third Law of Thermodynamics and Absolute Entropies
• Chapter 4. The Thermodynamics of Real Systems
• 4.1 Criteria for Spontaneous Processes and for Equilibrium: The Gibbs and Helmholtz Energies
• 4.2 Fundamental Relations for Closed Simple Systems
• 4.3 Additional Useful Thermodynamic Identities
• 4.4 Gibbs Energy Calculations
• 4.5 Multicomponent Systems
• 4.6 Euler’s Theorem and the Gibbs–Duhem Relation
• Chapter 5. Phase Equilibrium
• 5.1 The Fundamental Fact of Phase Equilibrium
• 5.2 The Gibbs Phase Rule
• 5.3 Phase Equilibria in One-Component Systems
• 5.4 The Gibbs Energy and Phase Transitions
• 5.5 Surfaces in One-Component Systems
• 5.6 Surfaces in Multicomponent Systems
• Chapter 6. The Thermodynamics of Solutions
• 6.1 Ideal Solutions
• 6.2 Henry’s Law and Dilute Nonelectrolyte Solutions
• 6.3 Activity and Activity Coefficients
• 6.4 The Activities of Nonvolatile Solutes
• 6.5 Thermodynamic Functions of Nonideal Solutions
• 6.6 Phase Diagrams of Nonideal Mixtures
• 6.7 Colligative Properties
• Chapter 7. Chemical Equilibrium
• 7.1 Gibbs Energy Changes and the Equilibrium Constant
• 7.2 Reactions Involving Gases and Pure Solids or Liquids
• 7.3 Chemical Equilibrium in Solutions
• 7.4 Equilibria in Solutions of Strong Electrolytes
• 7.5 Buffer Solutions
• 7.6 The Temperature Dependence of Chemical Equilibrium. The Principle of Le Châtelier
• 7.7 Chemical Equilibrium and Biological Systems
• Chapter 8. The Thermodynamics of Electrochemical Systems
• 8.1 The Chemical Potential and the Electric Potential
• 8.2 Electrochemical Cells
• 8.3 Half-Cell Potentials and Cell Potentials
• 8.4 The Determination of Activities and Activity Coefficients of Electrolytes
• 8.5 Thermodynamic Information from Electrochemistry
• Part 2. Dynamics
• Chapter 9. Gas Kinetic Theory: The Molecular Theory of Dilute Gases at Equilibrium
• 9.1 Macroscopic and Microscopic States of Macroscopic Systems
• 9.2 A Model System to Represent a Dilute Gas
• 9.3 The Velocity Probability Distribution
• 9.4 The Distribution of Molecular Speeds
• 9.5 The Pressure of a Dilute Gas
• 9.6 Effusion and Wall Collisions
• 9.7 The Model System with Potential Energy
• 9.8 The Hard-Sphere Gas
• 9.9 The Molecular Structure of Liquids
• Chapter 10. Transport Processes
• 10.1 The Macroscopic Description of Nonequilibrium States
• 10.2 Transport Processes
• 10.3 The Gas Kinetic Theory of Transport Processes in Hard-Sphere Gases
• 10.4 Transport Processes in Liquids
• 10.5 Electrical Conduction in Electrolyte Solutions
• Chapter 11. The Rates of Chemical Reactions
• 11.1 The Macroscopic Description of Chemical Reaction Rates
• 11.2 Forward Reactions with One Reactant
• 11.3 Forward Reactions with More Than One Reactant
• 11.4 Inclusion of a Reverse Reaction. Chemical Equilibrium
• 11.5 A Simple Reaction Mechanism: Two Consecutive Steps
• 11.6 Competing Reactions
• 11.7 The Experimental Study of Fast Reactions
• Chapter 12. Chemical Reaction Mechanisms I: Rate Laws and Mechanisms
• 12.1 Reaction Mechanisms and Elementary Processes in Gases
• 12.2 Elementary Processes in Liquid Solutions
• 12.3 The Temperature Dependence of Rate Constants
• 12.4 Reaction Mechanisms and Rate Laws
• 12.5 Chain Reactions
• Chapter 13. Chemical Reaction Mechanisms II: Catalysis and Miscellaneous Topics
• 13.1 Catalysis
• 13.2 Competing Mechanisms and the Principle of Detailed Balance
• 13.3 Autocatalysis and Oscillatory Chemical Reactions
• 13.4 The Reaction Kinetics of Polymer Formation
• 13.5 Nonequilibrium Electrochemistry
• 13.6 Experimental Molecular Study of Chemical Reaction Mechanisms
• Part 3. The Molecular Nature of Matter
• Chapter 14. Classical Mechanics and the Old Quantum Theory
• 14.1 Introduction
• 14.2 Classical Mechanics
• 14.3 Classical Waves
• 14.4 The Old Quantum Theory
• Chapter 15. The Principles of Quantum Mechanics. I. De Broglie Waves and the Schrödinger Equation
• 15.1 De Broglie Waves
• 15.2 The Schrödinger Equation
• 15.3 The Particle in a Box and the Free Particle
• 15.4 The Quantum Harmonic Oscillator
• Chapter 16. The Principles of Quantum Mechanics. II. The Postulates of Quantum Mechanics
• 16.1 The First Two Postulates of Quantum Mechanics
• 16.2 The Third Postulate. Mathematical Operators and Mechanical Variables
• 16.3 The Operator Corresponding to a Given Variable
• 16.4 Postulate 4 and Expectation Values
• 16.5 The Uncertainty Principle of Heisenberg
• 16.6 Postulate 5. Measurements and the Determination of the State of a System
• Chapter 17. The Electronic States of Atoms. I. The Hydrogen Atom
• 17.1 The Hydrogen Atom and the Central Force System
• 17.2 The Relative Schrödinger Equation. Angular Momentum
• 17.3 The Radial Factor in the Hydrogen Atom Wave Function. The Energy Levels of the Hydrogen Atom
• 17.4 The Orbitals of the Hydrogen-Like Atom
• 17.5 Expectation Values in the Hydrogen Atom
• 17.6 The Time-Dependent Wave Functions of the Hydrogen Atom
• 17.7 The Intrinsic Angular Momentum of the Electron. SpinŽ
• Chapter 18. The Electronic States of Atoms. II. The Zero-Order Approximation for Multielectron Atoms
• 18.1 The Helium-Like Atom
• 18.2 The Indistinguishability of Electrons and the Pauli Exclusion Principle
• 18.3 The Ground State of the Helium Atom in Zero Order
• 18.4 Excited States of the Helium Atom
• 18.5 Angular Momentum in the Helium Atom
• 18.6 The Lithium Atom
• 18.7 Atoms with More Than Three Electrons
• Chapter 19. The Electronic States of Atoms. III. Higher-Order Approximations
• 19.1 The Variation Method and Its Application to the Helium Atom
• 19.2 The Self-Consistent Field Method
• 19.3 The Perturbation Method and Its Application to the Ground State of the Helium Atom
• 19.4 Excited States of the Helium Atom. Degenerate Perturbation Theory
• 19.5 The Density Functional Method
• 19.6 Atoms with More Than Two Electrons
• Chapter 20. The Electronic States of Diatomic Molecules
• 20.1 The Born–Oppenheimer Approximation and the Hydrogen Molecule Ion
• 20.2 LCAOMOs. Approximate Molecular Orbitals That Are Linear Combinations of Atomic Orbitals
• 20.3 Homonuclear Diatomic Molecules
• 20.4 Heteronuclear Diatomic Molecules
• Chapter 21. The Electronic Structure of Polyatomic Molecules
• 21.1 The BeH2 Molecule and the sp Hybrid Orbitals
• 21.2 The BH3 Molecule and the sp2 Hybrid Orbitals
• 21.3 The CH4, NH3, and H2O Molecules and the sp3 Hybrid Orbitals
• 21.4 Molecules with Multiple Bonds
• 21.5 The Valence-Bond Description of Polyatomic Molecules
• 21.6 Delocalized Bonding
• 21.7 The Free-Electron Molecular Orbital Method
• 21.8 Applications of Symmetry to Molecular Orbitals
• 21.9 Groups of Symmetry Operators
• 21.10 More Advanced Treatments of Molecular Electronic Structure. Computational Chemistry
• Chapter 22. Translational, Rotational, and Vibrational States of Atoms and Molecules
• 22.1 The Translational States of Atoms
• 22.2 The Nonelectronic States of Diatomic Molecules
• 22.3 Nuclear Spins and Wave Function Symmetry
• 22.4 The Rotation and Vibration of Polyatomic Molecules
• 22.5 The Equilibrium Populations of Molecular States
• Chapter 23. Optical Spectroscopy and Photochemistry
• 23.1 Emission/Absorption Spectroscopy and Energy Levels
• 23.2 The Spectra of Atoms
• 23.3 Rotational and Vibrational Spectra of Diatomic Molecules
• 23.4 Electronic Spectra of Diatomic Molecules
• 23.5 Spectra of Polyatomic Molecules
• 23.6 Fluorescence, Phosphorescence, and Photochemistry
• 23.7 Raman Spectroscopy
• 23.8 Other Types of Spectroscopy
• Chapter 24. Magnetic Resonance Spectroscopy
• 24.1 Magnetic Fields and Magnetic Dipoles
• 24.2 Electronic and Nuclear Magnetic Dipoles
• 24.3 Electron Spin Resonance Spectroscopy
• 24.4 Nuclear Magnetic Resonance Spectroscopy
• 24.5 Fourier Transform NMR Spectroscopy
• Part 4. The Reconciliation of the Macroscopic and Molecular Theories of Matter
• Chapter 25. Equilibrium Statistical Mechanics. I. The Probability Distribution for Molecular States
• 25.1 The Quantum Statistical Mechanics of a Simple Model System
• 25.2 The Probability Distribution for a Dilute Gas
• 25.3 The Probability Distribution and the Molecular Partition Function
• 25.4 The Calculation of Molecular Partition Functions
• Chapter 26. Equilibrium Statistical Mechanics. II. Statistical Thermodynamics
• 26.1 The Statistical Thermodynamics of a Dilute Gas
• 26.2 Working Equations for the Thermodynamic Functions of a Dilute Gas
• 26.3 Chemical Equilibrium in Dilute Gases
• 26.4 The Activated Complex Theory of Bimolecular Chemical Reaction Rates in Dilute Gases
• 26.5 Miscellaneous Topics in Statistical Thermodynamics
• Chapter 27. Equilibrium Statistical Mechanics. III. Ensembles
• 27.1 The Canonical Ensemble
• 27.2 Thermodynamic Functions in the Canonical Ensemble
• 27.3 The Dilute Gas in the Canonical Ensemble
• 27.4 Classical Statistical Mechanics
• 27.5 Thermodynamic Functions in the Classical Canonical Ensemble
• 27.6 The Classical Statistical Mechanics of Dense Gases and Liquids
• Chapter 28. The Structure of Solids, Liquids, and Polymers
• 28.1 The Structure of Solids
• 28.2 Crystal Vibrations
• 28.3 The Electronic Structure of Crystalline Solids
• 28.4 Electrical Resistance in Solids
• 28.5 The Structure of Liquids
• 28.6 Approximate Theories of Transport Processes in Liquids
• 28.7 Polymer Conformation
• 28.8 Polymers in Solution
• 28.9 Rubber Elasticity
• 28.10 Nanomaterials
• Appendices
• Appendix A. Tables of Numerical Data
• Appendix B. Some Useful Mathematics
• B.1 Differential Calculus with Several Variables
• B.2 Integral Calculus with Several Variables
• B.3 Vectors
• B.4 Solution of a Differential Equation from the Two-Step Mechanism of Chapter 11
• B.5 Complex and Imaginary Quantities
• B.6 Some Properties of Hermitian Operators
• B.7 Matrices and Determinants
• B.8 Fourier Series
• B.9 Fourier Integrals (Fourier Transforms)
• Appendix C. A Short Table of Integrals
• C.1 Indefinite Integrals
• C.2 Definite Integrals
• C.3 The Error Function
• Appendix D. Some Derivations of Formulas and Methods
• D.1 Caratheodory’s Theorem
• D.2 Proof That the Liquid and Vapor Curves Are Tangent at an Azeotrope
• D.3 Euler’s Theorem5
• D.4 The Method of Intercepts
• D.5 An Integration for the Collision Theory of Bimolecular Reactions
• Appendix E. Classical Mechanics
• E.1 Newton’s Laws of Motion
• E.2 Derivation of the Wave Equation for a Flexible String
• E.3 Lagrangian Mechanics
• E.4 Hamiltonian Mechanics
• E.5 The Two-Body Problem
• Appendix F. Some Mathematics Used in Quantum Mechanics
• F.1 The Classical Wave Equations for Electromagnetic Radiation
• F.2 The Particle in a Three-Dimensional Box
• F.3 The Time-Independent Schrödinger Equation for the Harmonic Oscillator (the Hermite Equation)
• F.4 The Hydrogen Atom Energy Eigenfunctions
• Appendix G. The Perturbation Method
• G.1 The Nondegenerate Case
• G.2 The Degenerate Case
• Appendix H. The Hückel Method
• Appendix I. Matrix Representations of Groups
• I.1 Representations of the C2v Group
• I.2 Classes in a Group
• I.3 Character Tables
• I.4 Bases for Representations
• I.5 Applications of Group Theory to Molecular Orbitals
• Appendix J. Symbols Used in This Book
• Appendix K. Answers to Numerical Exercises and Odd-Numbered Numerical Problems
• Additional Reading
• Index