Ideal Gas Laws Empirical Gas Laws The Mole Equations of State Dalton's Law The Mole Fraction Extensive and Intensive Variables Graham's Law of

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1 Ideal Gas Laws Empirical Gas Laws The Mole Equations of State Dalton's Law The Mole Fraction Extensive and Intensive Variables Graham's Law of Effusion The Maxwell-Boltzmann Distribution A Digression on "Space" The Sum-Over-States or Partition Function Real Gases: Empirical Equations The van der Waals Equation The Virial Equation: A Parametric Curve Fit The Compressibility Factor The Critical Temperature Reduced Variables The Law of Corresponding States, Another View Compressibility Factors Calculated From the van der Waals Constants Boyle's Law Plot for an Ideal Gas (lower curve) and for Nitrogen Determining the Molecular Weight of a Nonideal Gas The Thermodynamics of Simple Systems Conservation Laws and Exact Differentials Thermodynamic Cycles Line Integrals in General Pythagorean Approximation to the Short Arc of a Curve Thermodynamic States and Systems State Functions Reversible Processes and Path Independence Heat Capacity Energy and Enthalpy The Joule and Joule-Thomson Experiments The Heat Capacity of an Ideal Gas Adiabatic Work Thermochemistry Calorimetry Energies and Enthalpies of Formation Standard States Molecular Enthalpies of Formation Enthalpies of Reaction Group Additivity

2 from Classical Mechanics The Schroedinger Equation Variation of with T Differential Scanning Calorimetry Entropy and the Second Law Entropy Entropy Changes Spontaneous Processes The Third Law The Gibbs Free Energy Combining Enthalpy and Entropy Free Energies of Formation Some Fundamental Thermodynamic Identities The Free Energy of Reaction Pressure Dependence of the Chemical Potential The Temperature dependence of the Free Energy Equilibrium The Equilibrium Constant General Formulation The Extent of Reaction Fugacity and Activity Variation of the Equilibrium Constant with Temperature Computational Thermochemistry Chemical Potential: Nonideal Systems Free Energy and Equilibria in Biochemical Systems A Statistical Approach to Thermodynamics Equilibrium Degeneracy and Equilibrium Gibbs Free Energy and the Partition Function Entropy and Probability The Thermodynamic Functions The Partition Function of a Simple System The Partition Function for Different modes of Motion The Equilibrium Constant: A Statistical Approach Computational Statistical Thermodynamics The Phase Rule Components, Phases, and Degrees of Freedom Coexistance Curves The Clausius-Clapeyron Equation Partial Molar Volume The Gibbs Phase Rule

3 Two Component Phase Diagrams Compound Phase Diagrams Ternary Phase Diagrams Chemical Kinetics First Order Kinetic Rate Laws Second Order Reactions Other Reaction Orders Experimental Determination of the Rate Equation Reaction Mechanisms The Influence of Temperature on Rate Collision Theory Computational Kinetics Liquids and Solids Surface Tension Heat Capacity of Liquids and Solids Viscosity of Liquids Crystals Bravais Lattices Computational Geometries Lattice Energies (Enthalpies) Solution Chemistry The Ideal Solution Raoult's Law A Digression on Concentration Units Real Solutions Real Solutions Henry's Law Vapor Pressure Boiling Point Elevation Osmotic Presure Colligative Properties Conductivity Electrical Potential Resistivity, Conductivity and Conductance Molar Conductivity Partial Ionization: Weak Electrolytes Ion Mobilities Faraday's Laws Mobility and Conductance The Hittorf Cell Ion Activities Electrochemical Cells

4 The Daniell Cell Half Cells Half Cell Potentials Cell Diagrams Electrical Work The Nernst Equation Concentration Cells Finding Solubility and Stability Products Mean Ionic Activity Coefficients The Calomel Electrode The Glass electrode Early Atomic Theory: A Summary The Hydrogen Spectrum Early Quantum Theory Molecular Quantum Chemistry The Hartree Independent Electron Method Wave Mechanics of Simple Systems Wave Motion Wave Equations The Schroedinger Equation Quantum Mechanical Systems The Particle in a One Dimensional Box The Particle in a Cubic Box The Hydrogen Atom Breaking Degeneracy Orthogonality and Overlap Many Electron Atomic Systems The Variational Method: Atoms More on The Variational Method The Secular Determinant A Variational Treatment for the Hydrogen Atom: The Energy Spectrum Helium Spin Bosons and Fermions Slater Determinants The Aufbau Principle The SCF Energies of First Row Atoms and Ions Slater-Type Orbitals STO Spin-Orbit Coupling Experimental Determination of Molecular Structure

5 The Harmonic Oscillator The Hooke's Law Potential Well Diatomic Molecules The Quantum Rigid Rotor Microwave Spectroscopy: Bond strength and Bond Length Electronic Spectra Dipole Moments Nuclear Magnetic Resonance (NMR) Electron Spin Resonance Part A Classical Molecular Modeling Enthalpy: Additive Methods Bond Enthalpies Structure Geometry and Enthalpy: Molecular Mechanics Molecular Modeling The gui Finding Thermodynamic Properties The Outside World Transition States Quantum Molecular Modeling The Molecular Variational Method The Hydrogen Molecule Ion Higher Molecular Orbital Calculations Semiempirical Methods Ab Initio Methods The Gaussian Basis Set Stored Parameters Molecular Orbitals Methane Split Valence Basis Sets Polarized Basis Functions Heteroatoms: Oxygen Finding of Methanol Further Basis Set Improvements Post Hartree-Fock Calculations Perturbation Combined or Scripted Methods Density Functional Theory (DFT) Photochemistry and the Theory of Chemical Kinetics Einstein's Law Quantum Yields

6 Bond Dissociation Energies (BDE) Isodesmic Reactions The Eyring Theory of Reaction Rates The Potential Energy Surface Steady State Pseudo Equilibrium Entropies of Activation The Structure of the Activated Complex Table of Contents provided by Blackwell's Book Services and R.R. Bowker. Used with permission.