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Chapter 1Fundamental Concepts of Thermodynamics<br/>1.1 What Is Thermodynamics and Why Is It Useful?<br/>1.2 Basic Definitions Needed to Describe Thermodynamic Systems<br/>1.3 Thermometry<br/>1.4 Equations of State and the Ideal Gas Law<br/>1.5 A Brief Introduction to Real Gases<br/>Chapter 2 Heat, Work, Internal Energy, Enthalpy,and the First Lawof Thermodynamics<br/>2.1 The Internal Energy and the First Law of Thermodynamics<br/>2.2 Work<br/>2.3 Heat<br/>2.4 Heat Capacity<br/>2.5 State Functions and Path Functions<br/>2.6 Equilibrium, Change, and Reversibility<br/>2.7 Comparing Work for Reversibleand Irreversible Processes<br/>2.8 Determining U and Introducing Enthalpy, a New State Function<br/>2.9 Calculating q, w, U, and H for Processes Involving Ideal Gases<br/>2.10 The Reversible Adiabatic Expansion and Compression of an Ideal Gas<br/>Chapter 3 The Importance of State Functions: Internal Energy and Enthalpy<br/>3.1 The Mathematical Properties of State Functions<br/>3.2 The Dependence of U on V and T <br/>3.3 Does the Internal Energy Depend More Strongly on Vor T? <br/>3.4 The Variation of Enthalpy with Temperature at Constant Pressure <br/>3.5 How Are CP and CVRelated? <br/>3.6 The Variation of Enthalpy with Pressure at Constant Temperature<br/>3.7 The Joule-Thompson Experiment<br/>3.8 Liquefying Gases Using an Isenthalpic Expansion<br/>Chapter 4 Thermochemistry<br/>4.1 Energy Stored in Chemical Bonds Is Released or Taken Up in Chemical Reactions<br/>4.2 Internal Energy and Enthalpy Changes Associated with Chemical Reactions<br/>4.3 Hess?s Law Is Based on Enthalpy Being a State Function<br/>4.4 The Temperature Dependence of Reaction Enthalpies<br/>4.5 The Experimental Determination of ?U and ?H for Chemical Reactions<br/>4.6 Differential Scanning Calorimetry<br/>Chapter 5 Entropy and the Second and Third Laws of Thermodynamics<br/>5.1 The Universe Has a Natural Direction of Change<br/>5.2 Heat Engines and the Second Lawof Thermodynamics<br/>5.3 Introducing Entropy<br/>5.4 Calculating Changes in Entropy<br/>5.5 Using Entropy to Calculate the Natural Direction of a Process in an Isolated System<br/>5.6 The Clausius Inequality<br/>5.7 The Change of Entropy in the Surroundings and DS total 5DS1DS surrounding <br/>5.8 Absolute Entropies and the Third Law of Thermodynamics<br/>5.9 Standard States in Entropy Calculations <br/>5.10 Entropy Changes in Chemical Reactions<br/>5.11 Refrigerators, Heat Pumps, and Real Engines <br/>Chapter 6 Chemical Equilibrium <br/>6.1 The Gibbs Energy and the Helmholtz Energy<br/>6.2 The Differential Forms of U,H, A, and G <br/>6.3 The Dependence of the Gibbs and Helmholtz Energies on P, V, and T <br/>6.4 The Gibbs Energy of a Reaction Mixture<br/>6.5 The Gibbs Energy of a Gas in a Mixture <br/>6.6 Calculating the Gibbs Energy of Mixing for Ideal Gases <br/>6.7 Expressing Chemical Equilibrium in an Ideal Gas Mixture in Terms of the æi <br/>6.8 Calculating ?Greaction and Introducing the Equilibrium Constant for a Mixture of Ideal Gases <br/>6.9 Calculating the Equilibrium Partial Pressures in a Mixture of Ideal Gases<br/>6.10 The Variation of KP with Temperature<br/>6.11 Equilibria Involving Ideal Gases and Solid or Liquid Phases <br/>6.12 Expressing the Equilibrium Constant in Terms of Mole Fraction or Molarity<br/>6.13 The Dependence of jeq on T and P<br/>Chapter 7 The Properties of Real Gases<br/>7.1 Real Gases and Ideal Gases<br/>7.2 Equations of State for Real Gases and Their Range of Applicability<br/>7.3 The Compression Factor<br/>7.4 The Law of Corresponding States <br/>7.5 Fugacity and the Equilibrium Constant for Real Gases<br/>Chapter 8 Phase Diagrams and the Relative Stability of Solids, Liquids, and Gases<br/>8.1 What Determines the Relative Stability of the Solid, Liquid, and Gas Phases?<br/>8.2 The Pressure?Temperature Phase Diagram<br/>8.3 The Pressure?Volume and Pressure?Volume?Temperature Phase Diagrams<br/>8.4 Providing a Theoretical Basis for the P?T Phase Diagram <br/>8.5 Using the Clapeyron Equation to Calculate Vapor Pressure as a Function of T<br/>8.6 The Vapor Pressure of a Pure Substance Depends on the Applied Pressure<br/>8.7 Surface Tension <br/>8.8 Chemistry in Supercritical Fluids<br/>8.9 Liquid Crystals and LCD Displays<br/>Chapter 9 Ideal and Real Solutions<br/>9.1 Defining the Ideal Solution<br/>9.2 The Chemical Potential of a Component in the Gas and Solution Phases<br/>9.3 Applying the Ideal Solution Model to Binary Solutions<br/>9.4 The Temperature?Composition Diagram and Fractional Distillation<br/>9.5 The Gibbs?Duhem Equation<br/>9.6 Colligative Properties<br/>9.7 The Freezing Point Depression and Boiling Point Elevation<br/>9.8 The Osmotic Pressure<br/>9.9 Real Solutions Exhibit Deviations from Raoult?s Law<br/>9.10 The Ideal Dilute Solution<br/>9.11 Activities Are Defined with Respect to Standard States<br/>9.12 Henry?s Law and the Solubility of Gases in a Solvent<br/>9.13 Chemical Equilibrium in Solutions<br/>Chapter 10 Electrolyte Solutions<br/>10.1 The Enthalpy, Entropy, and Gibbs Energy of Ion Formation in Solutions<br/>10.2 Understanding the Thermodynamics of Ion Formation and Solvation<br/>10.3 Activities and Activity Coefficients for Electrolyte Solutions<br/>10.4 Calculating gñ Using the Debye?Hückel Theory<br/>10.5 Chemical Equilibrium in Electrolyte Solutions<br/>Chapter 11 Electrochemical Cells, Batteries, and Fuel Cells<br/>11.1 The Effect of an Electrical Potential on the Chemical Potential of Charged Species<br/>11.2 Conventions and Standard States in Electrochemistry<br/>11.3 Measurement of the Reversible Cell Potentia<br/>11.4 Chemical Reactions in Electrochemical Cells and the Nernst Equation<br/>11.5 Combining Standard Electrode Potentials to Determine the Cell Potential<br/>11.7 The Relationship between the Cell EMF and the Equilibrium Constant<br/>11.6 Obtaining Reaction Gibbs Energies and Reaction Entropies from Cell Potentials<br/>11.8 Determination of E° and Activity Coefficients Using an Electrochemical Cel<br/>11.9 Cell Nomenclature and Types of Electrochemical Cells<br/>11.10 The Electrochemical Series<br/>11.11 Thermodynamics of Batteries and Fuel Cells<br/>11.12 The Electrochemistry of Commonly Used Batteries<br/>11.13 Fuel Cells<br/>Chapter 12 From Classical to Quantum Mechanics <br/>12.1 Why Study Quantum Mechanics? <br/>12.2 Quantum Mechanics Arose Out of the Interplay of Experiments and Theory <br/>12.3 Blackbody Radiation <br/>12.4 The Photoelectric Effect <br/>12.6 Diffraction by a Double Slit <br/>12.5 Particles Exhibit Wave-Like Behavior<br/>12.7 Atomic Spectra <br/> <br/>Chapter 13 The Schrödinger Equation <br/>13.1 What Determines If a System Needs to Be Described Using Quantum Mechanics? <br/>13.2 Classical Waves and the Nondispersive Wave Equation <br/>13.3 Waves Are Conveniently Represented as Complex Functions <br/>13.4 Quantum Mechanical Waves _and the Schrödinger Equation <br/>13.5 Solving the Schrödinger Equation: Operators, Observables, Eigenfunctions, and Eigenvalues <br/>13.6 The Eigenfunctions of a Quantum Mechanical Operator Are Orthogonal <br/>13.7 The Eigenfunctions of a Quantum Mechanical Operator Form a Complete Set <br/>13.8 Summing Up the New Concepts <br/>Chapter 14 The Quantum Mechanical Postulates <br/>14.1 The Physical Meaning Associated with the Wave Function <br/>14.2 Every Observable Has a Corresponding Operator <br/>14.3 The Result of an Individual Measurement <br/>14.4 The Expectation Value <br/>14.5 The Evolution in Time of a Quantum Mechanical System <br/>Chapter 15 Using Quantum Mechanics on Simple Systems <br/>15.1 The Free Particle <br/>15.2 The Particle in a One-Dimensional Box <br/>15.3 Two- and Three-Dimensional Boxes <br/>15.4 Using the Postulates to Understand the Particle in the Box and Vice Versa <br/>Chapter 16 The Particle in the Box and the Real World <br/> 16.1 The Particle in the Finite Depth Box <br/>16.2 Differences in Overlap between Core and Valence Electrons <br/> 16.3 Pi Electrons in Conjugated Molecules Can Be Treated as Moving Freely in a Box <br/>16.4 Why Does Sodium Conduct Electricity and Why Is Diamond an Insulator? <br/>16.5 Tunneling through a Barrier <br/>16.6 The Scanning Tunneling Microscope <br/>16.7 Tunneling in Chemical Reactions <br/>Chapter 17 Commuting and Noncommuting Operators and the Surprising Consequences of <br/>Entanglement <br/>17.1 Commutation Relations <br/>17.2 The Stern-Gerlach Experiment <br/>17.3 The Heisenberg Uncertainty Principle <br/>Chapter 18 A Quantum Mechanical Model for the Vibration and Rotation of Molecules <br/>18.1 Solving the Schrödinger Equation for the Quantum Mechanical Harmonic Oscillator <br/>18.2 Solving the Schrödinger Equation for Rotation in Two Dimensions <br/>18.3 Solving the Schrödinger Equation for Rotation in Three Dimensions <br/>18.4 The Quantization of Angular Momentum <br/>18.5 The Spherical Harmonic Functions <br/>Chapter 19 The Vibrational and Rotational Spectroscopy of Diatomic Molecules <br/>19.1 An Introduction to Spectroscopy <br/>19.2 Absorption, Spontaneous Emission, and Stimulated Emission <br/>19.3 An Introduction to Vibrational Spectroscopy <br/>19.4 The Origin of Selection Rules <br/>19.5 Infrared Absorption Spectroscopy <br/>19.6 Rotational Spectroscopy <br/>Chapter 20 The Hydrogen Atom <br/>20.1 Formulating the Schrödinger Equation <br/>20.2 Solving the Schrödinger Equation for the Hydrogen Atom <br/>20.3 Eigenvalues and Eigenfunctions for the Total Energy <br/>20.4 The Hydrogen Atom Orbitals <br/>20.5 The Radial Probability Distribution Function <br/>20.6 The Validity of the Shell Model of an Atom <br/>Chapter 21 Many-Electron Atoms <br/>21.1 Helium: The Smallest Many-Electron Atom <br/>21.2 Introducing Electron Spin <br/>21.3 Wave Functions Must Reflect the Indistinguishability of Electrons <br/>21.4 Using the Variational Method to Solve the Schrödinger Equation <br/>21.5 The Hartree-Fock Self-Consistent Field Method <br/>21.6 Understanding Trends in the Periodic Table from Hartree-Fock Calculations <br/>21.7 Good Quantum Numbers, Terms, Levels, and States <br/>21.8 The Energy of a Configuration Depends on Both Orbital and Spin Angular Momentum <br/>21.9 Spin-Orbit Coupling Breaks Up a Term into Levels <br/>Chapter 22<br/>Examples of Spectroscopy Involving Atoms <br/>22.1 The Essentials of Atomic Spectroscopy <br/>22.2 Analytical Techniques Based on Atomic Spectroscopy <br/>22.3 The Doppler Effect <br/>22.4 The Helium-Neon Laser <br/>22.5 Laser Isotope Separation <br/>22.6 Auger Electron and X-Ray Photoelectron Spectroscopies <br/>22.7 Selective Chemistry of Excited States: O(3P) and O(1D) <br/>Chapter 23 Chemical Bonding in H12 and H2 <br/>23.1 Quantum Mechanics and the Chemical Bond <br/>23.2 The Simplest One-Electron Molecule: H21 <br/>23.3 The Molecular Wave Function for Ground-State H21 <br/>23.4 The Energy Corresponding to the Molecular Wave Functions cg and cu <br/>23.5 A Closer Look at the Molecular Wave Functions cg and cu <br/>23.6 The H2O Molecule: Molecular Orbital and Valence Bond Models <br/>23.7 Comparing the Valence Bond and Molecular Orbital Models of the Chemical Bond <br/>Chapter 24 Chemical Bonding in Diatomic Molecules <br/>24.1 Solving the Schrödinger Equation for Many-Electron Molecules <br/>24.2 Expressing Molecular Orbitals as a Linear Combination of Atomic Orbitals <br/>24.3 The Molecular Orbital Energy Diagram <br/>24.4 Molecular Orbitals for Homonuclear Diatomic Molecules <br/>24.5 The Electronic Structure of Many-Electron Molecules <br/>24.6 Bond Order, Bond Energy, and Bond Length <br/>24.7 Heteronuclear Diatomic Molecules <br/>24.8 The Molecular Electrostatic Potential <br/>Chapter 25 Molecular Structureand Energy Levels for Polyatomic Molecules <br/>25.1 Lewis Structures and the VSEPR Model <br/>25.2 Describing Localized Bonds Using Hybridization for Methane, Ethene, and Ethyne <br/>25.3 Constructing Hybrid Orbitals for Nonequivalent Ligands <br/>25.4 Using Hybridization to Describe Chemical Bonding <br/>25.5 Predicting Molecular Structure Using Molecular Orbital Theory <br/>25.6 How Different Are Localized and Delocalized Bonding Models? <br/>25.7 Qualitative Molecular Orbital Theory for Conjugated and Aromatic Molecules: The Hückel <br/>Model <br/>25.8 From Molecules to Solids <br/>25.9 Making Semiconductors Conductive at Room Temperature <br/>Chapter 26 Electronic Spectroscopy <br/>26.1 The Energy of Electronic Transitions <br/>26.2 Molecular Term Symbols <br/>26.3 Transitions Between Electronic States of Diatomic Molecules <br/>26.4 The Vibrational Fine Structure of Electronic Transitions in Diatomic Molecules <br/>26.5 UV-Visible Light Absorption in Polyatomic Molecules <br/>26.6 Transitions among the Groundand Excited States <br/>26.7 Singlet?Singlet Transitions: Absorption and Fluorescence <br/>26.8 Intersystem Crossingand Phosphorescence <br/>26.9 Fluorescence Spectroscopyand Analytical Chemistry <br/>26.10 Ultraviolet Photoelectron Spectroscopy <br/>Chapter 27 Computational Chemistry<br/>27.1 Introduction <br/>27.2 Potential Energy Surfaces <br/>27.3 Hartree-Fock Molecular Orbital Theory: A Direct Descendant of the Schrödinger Equation <br/>27.4 Properties of Limiting Hartree-Fock Models <br/>27.5 Theoretical Models and Theoretical Model Chemistry <br/>27.6 Moving Beyond Hartree-Fock Theory <br/>27.7 Gaussian Basis Sets <br/>27.8 Selection of a Theoretical Model <br/>27.9 Graphical Models <br/>27.10 Conclusion <br/>Chapter 28 Molecular Symmetry <br/>28.1 Symmetry Elements, Symmetry Operations, and Point Groups <br/>28.2 Assigning Molecules to Point Groups <br/>28.3 The H2O Molecule and the C2v Point Group <br/>28.4 Representations of Symmetry Operators, Bases for Representations, and the Character Table <br/>28.5 The Dimension of a Representation <br/>28.6 Using the C2v Representations to Construct Molecular Orbitals for H2O <br/>28.7 The Symmetries of the Normal Modes of Vibration of Molecules <br/>28.8 Selection Rules and Infrared versus Raman Activity <br/>Chapter 29 Nuclear Magnetic Resonance Spectroscopy <br/>29.1 Intrinsic Nuclear Angular Momentum and Magnetic Moment <br/>29.2 The Energy of Nuclei of Nonzero Nuclear Spin in a Magnetic Field <br/>29.3 The Chemical Shift for an Isolated Atom <br/>29.4 The Chemical Shift for an Atom Embedded in a Molecule <br/>29.5 Electronegativity of Neighboring Groups and Chemical Shifts <br/>29.6 Magnetic Fields of Neighboring Groups and Chemical Shifts <br/>29.7 Multiplet Splitting of NMR Peaks Arises through Spin?Spin Coupling <br/>29.8 Multiplet Splitting When More Than Two Spins Interact <br/>29.9 Peak Widths in NMR Spectroscopy <br/>29.10 Solid-State NMR <br/>29.11 NMR Imaging <br/>Chapter 30 Probability<br/>30.1 Why Probability?<br/>30.2 Basic Probability Theory<br/>30.3 Stirling?s Approximation<br/>30.4 Probability Distribution Functions<br/>30.5 Probability Distributions Involving Discrete and Continuous Variables<br/>30.6 Characterizing Distribution Functions<br/>Chapter 31 The Boltzmann Distribution<br/>31.1 Microstates and Configurations<br/>31.2 Derivation of the Boltzmann Distribution<br/>31.3 Dominance of the Boltzmann Distribution<br/>31.4 Physical Meaning of the Boltzmann Distribution Law<br/>31.5 The Definition of b<br/>Chapter 32 Ensemble and Molecular Partition Functions<br/>32.1 The Canonical Ensemble<br/>32.2 Relating Q to q for an Ideal Gas<br/>32.3 Molecular Energy Levels<br/>32.4 Translational Partition Function<br/>32.5 Rotational Partition Function: Diatomics<br/>32.6 Rotational Partition Function: Polyatomics<br/>32.7 Vibrational Partition Function<br/>32.8 The Equipartition Theorem<br/>32.9 Electronic Partition Function<br/>32.10 Review <br/>Chapter 33 Statistical Thermodynamics<br/>33.1 Energy<br/>33.2 Energy and Molecular Energetic Degrees of Freedom<br/>33.3 Heat Capacity<br/>33.4 Entropy<br/>33.5 Residual Entropy<br/>33.6 Other Thermodynamic Functions<br/>33.7 Chemical Equilibrium<br/>Chapter 34 Kinetic Theory of Gase<br/>34.1 Kinetic Theory of Gas Motion and Pressure<br/>34.2 Velocity Distribution in One Dimension<br/>34.3 The Maxwell Distribution of Molecular Speeds<br/>34.4 Comparative Values for Speed Distribution: vave, vmp, and vrms<br/>34.6 Molecular Collisions<br/>34.7 The Mean Free Path<br/>Chapter 35 Transport Phenomena<br/>35.1 What Is Transport?<br/>35.2 Mass Transport: Diffusion<br/>35.3 The Time Evolution of a Concentration Gradient<br/>35.5 Thermal Conduction<br/>35.6 Viscosity of Gases<br/>35.7 Measuring Viscosity<br/>35.8 Diffusion in Liquids and Viscosity of Liquids<br/>35.10 Ionic Conduction <br/>Chapter 36 Elementary Chemical Kinetics<br/>36.1 Introduction to Kinetics<br/>36.2 Reaction Rates<br/>36.3 Rate Laws<br/>36.4 Reaction Mechanisms<br/>36.5 Integrated Rate Law Expressions<br/>36.7 Sequential First-Order Reactions<br/>36.8 Branching Reactions<br/>36.9 Temperature Dependence of Rate Constants<br/>36.10 Reversible Reactions and Equilibrium<br/>36.13 Potential Energy Surfaces<br/>36.14 Activated Complex Theory<br/>Chapter 37 Complex Reaction Mechanisms<br/>37.1 Reaction Mechanisms and Rate Laws<br/>37.2 The Preequilibrium Approximation<br/>37.3 The Lindemann Mechanism<br/>37.4 Catalysis<br/>37.5 Radical-Chain Reactions<br/>37.6 Radical-Chain Polymerization<br/>37.7 Explosions<br/>37.8 Photochemistry |
