Concise physical chemistry/ Donald W. Rogers.

Includes bibliographical references and index.

1. Ideal gas laws --
Empirical gas laws --
The mole --
Equations of state --
Dalton's Law --
Partial pressures --
Extensive and intensive variables --
Graham's Law of Effusion --
Molecular weight determination --
The Maxwell-Boltzmann Distribution --
Boltzmann's constant --
The Gaussian probability density distribution --
Probability density of molecular velocities in a spherical velocity space --
2. The 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 --
Boyle's Law plot for an ideal gas --
3. The thermodynamics of simple systems --
Conservation laws and exact differentials --
The reciprocity relationship --
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-Thompson experiments --
The heat capacity of an ideal gas --
Adiabatic work --
4. Thermochemistry --
Calorimetry --
energies and enthalpies of formation --
Standard states --
Molecular enthalpies of formation --
Enthalpies of reaction --
Group additivity --
The Schrödinger Equation --
Differential scanning calorimetry --
5. Entropy and the second law --
Heat death and time's arrow --
The reaction coordinate --
Disorder --
Entropy changes --
Heating --
Expansion --
Heating and expansion --
Spontaneous processes --
Mixing --
Heat transfer --
Chemical reactions --
The Third Law --
6. 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 --
7. Equilibrium --
The Equilibrium Constant --
Fugacity and activity --
Variation of the equilibrium constant with temperature --
The van't Hoff Equation --
LeChatelier's Principle --
Computational thermochemistry --
Chemical potential : nonideal systems --
Free energy and equilibria in biochemical systems --
Making ATP, the cell's power supply --
8. A statistical approach to thermodynamics --
Degeneracy and equilibrium --
Gibbs free energy and the partition function --
Entropy and probability --
The thermodynamic functions --
Partition function --
The equilibrium constant : a statistical approach --
Computational statistical thermodynamics --
9. The phase rule --
Components, phases, and degrees of freedom --
The Clausius-Clapeyron Equation --
Partial molar volume --
The Gibbs Phase Rule --
Compound phase diagrams --
Ternary phase diagrams --
10. Chemical kinetics --
First-order kinetic rate laws --
First-order radioactive decay --
Logarithmic decay of a radioactive element --
Second-order reactions --
The Laplace transform --
Sequential reactions --
Reversible reactions --
Experimental determination the rate equation --
Reaction mechanisms --
The influence of temperature on rate --
Collision theory --
Computational kinetics. 11. Liquids and solids --
Surface tension --
Heat capacity of liquids and solids --
Viscosity of liquids --
Crystals --
Bravais lattices --
The Bravais Crystal Systems and Lattices --
Covalent bond radii --
Computational geometries --
Lattice energies --
12. Solution chemistry --
The ideal solution --
Raoult's Law --
Concentration units --
Real solutions --
Henry's Law --
vapor pressure --
Boiling point elevation --
Osmotic pressure --
Colligative properties --
13. Coulometry and conductivity --
Electrical potential --
Membrane potentials --
Resistivity, conductivity, and conductance --
Molar conductivity --
Kohlrausch's Law --
Partial ionization : weak electrolytes --
Ion mobilities --
Faraday's Law --
Mobility and conductance --
The Hittorf Cell --
Ion activities --
14. Electrochemical cells --
The Daniell Cell --
Half-cells --
Cell diagrams --
Electrical work --
The Nernst Equation --
Concentration cells --
Solubility and stability products --
Mean ionic activity coefficients --
The Calomel electrode --
The Glass electrode --
15. Early quantum theory : a summary --
The Hydrogen spectrum --
Schrödinger, Heisenber, and Born : an introduction, The Hamiltonian Operator --
Molecular quantum chemistry --
Heitler and London --
Hartree and Fock --
antisymmetry and determinantal wave functions --
The Hartree Independent Electron Method --
Atomic units --
16. Wave mechanics of simple systems --
Wave motion --
Wave equations --
Eigenvalues and eigenvectors --
The Schrödinger Equation --
Quantum mechanical systems --
The Eigenfunction Postulate --
The Hydrogen atom --
Breaking degeneracy --
Orthogonality and overlap --
Many-electron atomic systems --
17. The variational method : atoms --
Secular determinant --
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 --
18. Experimental determination of molecular structure --
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 --
19. 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 --
20. 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 --
Methanol --
Post-Hartree-Fock calculations --
Perturbation --
Combined or scripted methods --
Density Functional Theory (DFT) --
21. Photochemistry and the theory of chemical reactions --
Einstein's Law --
Quantum yields --
Lipid peroxidation --
Ozone depletion --
Bond Dissociation Energies (BDE) --
Lasers --
Isodesmic reactions --
The Eyring Theory of Reaction Rates --
The potential energy surface --
The steady-state pseudo-equilibrium --
entropies of activation --
The structure of the activated complex.