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Table Of Contents

Basic Quantum Mechanics
1.1. The “Fall” of Classical Physics
1.2. Bohr’s Atomic Theory
2.2. How to normalize a wavefunction
2.3. Postulates II and II
3.1. The Hamiltonian
3.3. The Average Value Theorem
3.4. The Heisenberg Uncertainty Principle
4.1. The 1D Particle in a Box Problem
5.2. Spectroscopy (An Introduction)
Quantum Mechanics of Atoms and Molecules
6. Hydrogenic Systems
6.1. Hydrogenic systems
6.2. Discussion of the Wavefunctions
6.3. Spin of the electron
6.4. Summary: the Complete Hydrogenic Wavefunction
7. Multi-electron atoms
7.1. Two Electron Atoms: Helium
7.2. The Pauli Exclusion Principle
7.3. Many Electron Atoms
7.3.1. The Total Hamiltonian
8. Diatomic Molecules and the Born Oppenheimer Approximation
8.1. Molecular Energy
8.1.1. The Hamiltonian
8.1.2. The Born—Oppenheimer Approximation
8.2. Molecular Vibrations
8.2.1. The Morse Oscillator
8.2.2. Vibrational Spectroscopy
9. Molecular Orbital Theory and Symmetry
9.1. Molecular Orbital Theory
9.2. Symmetry
10. Molecular Orbital Diagrams
10.1. LCAO–Linear Combinations of Atomic Orbitals
10.1.1. Classification of Molecular Orbitals
10.2. The Hydrogen Molecule
10.3. Molecular Orbital Diagrams
10.4. The Complete Molecular Hamiltonian and Wavefunc- tion
11. An Aside: Light Scattering–Why the Sky is Blue
11.2. The Blue Sky
11.2.1. Sunsets
11.2.2. White Clouds
12. Rudiments of Statistical Mechanics
12.1. Statistics and Entropy
12.1.1. Combinations and Permutations
12.2. Fluctuations
13. The Boltzmann Distribution
13.1. Partition Functions
13.1.1. Relation between the Q and W
13.2. The Molecular Partition Function
14. Statistical Thermodynamics
15.1. Properties of Partial Derivatives
15.1.1. Summary of Relations
15.2. Definitions
15.2.1. Types of Systems
15.2.2. System Parameters
15.3. Work and Heat
15.3.1. Generalized Forces and Displacements
15.3.2. PV work
16. Maximum Work and Reversible changes
16.2. Heat Capacity
16.3. Equations of State
16.3.1. Example 1: The Ideal Gas Law
16.3.2. Example 2: The van der Waals Equation of State
16.3.3. Other Equations of State
17. The Zeroth and First Laws of Thermodynamics
17.1. Temperature and the Zeroth Law of Thermodynamics
17.2. The First Law of Thermodynamics
17.2.1. The internal energy state function
18. The Second and Third Laws of Thermodynamics
18.1. Entropy and the Second Law of Thermodynamics
18.1.1. Statements of the Second Law
18.2. The Third Law of Thermodynamics
18.2.1. The Third Law
18.2.2. Debye’s Law
18.3. Times Arrow
Basics of Thermodynamics
19. Auxillary Functions and Maxwell Relations
19.1. The Other Important State Functions of Thermody- namics
19.2. Enthalpy
19.2.1. Heuristic definition:
19.3. Helmholtz Free Energy
19.3.1. Heuristic definition:
19.4. Gibbs Free Energy
19.4.1. Heuristic definition:
19.5. Heat Capacity of Gases
19.5.1. The Relationship Between CP and CV
19.6. The Maxwell Relations
20. Chemical Potential
20.1. Spontaneity of processes
20.2. Chemical potential
20.3. Activity and the Activity coefficient
20.3.1. Reference States
20.3.2. Activity and the Chemical Potential
21. Equilibrium
21.0.3. Equilibrium constants in terms of KC
21.0.4. The Partition Coefficient
22. Chemical Reactions
22.1. Heats of Reactions
22.1.1. Heats of Formation
22.1.2. Temperature dependence of the heat of reaction
22.2. Reversible reactions
22.3. Temperature Dependence of Ka
22.4. Extent of Reaction
23. Ionics
23.1. Ionic Activities
23.1.1. Ionic activity coefficients
23.2. Theory of Electrolytic Solutions
23.3. Ion Mobility
23.3.1. Ion mobility
24. Thermodynamics of Solvation
24.1. The Born Model
24.1.1. Free Energy of Solvation for the Born Model
24.1.2. Ion Transfer Between Phases
24.1.3. Enthalpy and Entropy of Solvation
24.2. Corrections to the Born Model
25. Key Equations for Exam 4
Quantum Mechanics and Dynamics
26. Particle in a 3D Box
26.1. Particle in a Box
26.2. The 3D Particle in a Box Problem
27. Operators
27.1. Operator Algebra
27.2. Orthogonality, Completeness, and the Superposition Principle
28. Angular Momentum
28.1. Classical Theory of Angular Momentum
28.2. Quantum theory of Angular Momentum
28.3. Particle on a Ring
28.4. General Theory of Angular Momentum
28.5. Quantum Properties of Angular Momentum
28.5.1. The rigid rotor
29.1. Spin Angular Momentum
29.2. Addition of Angular Momentum
29.2.1. The Addition of Angular Momentum: General Theory
29.2.2. An Example: Two Electrons
29.2.3. Term Symbols
29.2.4. Spin Orbit Coupling
30.1. Perturbation Theory
30.2. Variational method
31. The Two Level System and Quantum Dynamics
31.1. The Two Level System
31.2. Quantum Dynamics
Symmetry and Spectroscopy
32.1. Symmetry Operators
32.2. Mathematical Groups
32.2.1. Example: The C2v Group
32.3. Symmetry of Functions
32.3.1. Direct Products
32.4. Symmetry Breaking and Crystal Field Splitting
33.1. Molecular Vibrations
33.1.1. Normal Modes
33.1.2. Normal Modes and Group Theory
34. Vibrational Spectroscopy and Group Theory
34.1. IR Spectroscopy
34.2. Raman Spectroscopy
35.1. Relaxing the rigid rotor
35.2. Rotational Spectroscopy
35.3. Rotation of Polyatomic Molecules
36. Electronic Spectroscopy of Molecules
36.1. The Structure of the Electronic State
36.1.1. Absorption Spectra
36.1.2. Emission Spectra
36.1.3. Fluorescence Spectra
36.2. Franck—Condon activity
36.2.1. The Franck—Condon principle
37.1. The Fourier transformation
Kinetics and Gases
38.1. kinetic theory of gases
38.2. Molecular Collisions
39.1. Rate Laws
39.2. Determination of Rate Laws
39.2.1. Differential methods based on the rate law
39.2.2. Integrated rate laws
40. Temperature and Chemical Kinetics
40.1. Temperature Effects on Rate Constants
40.1.1. Temperature corrections to the Arrhenious parameters
40.2. Theory of Reaction Rates
40.3. Multistep Reactions
40.4. Chain Reactions
41. Gases and the Virial Series
41.1. Equations of State
41.2. The Virial Series
41.2.1. Relation to the van der Waals Equation of State
41.2.2. The Boyle Temperature
41.2.3. The Virial Series in Pressure
41.2.4. Estimation of Virial Coefficients
42. Behavior of Gases
42.1. P,V and T behavior
42.1.1. α and κT for an ideal gas
42.1.2. α and κT for liquids and solids
42.2. Heat Capacity of Gases Revisited
42.2.1. The Relationship Between CP and CV
42.3. Expansion of Gases
42.3.1. Isothermal and Adiabatic expansions
42.3.2. Heat capacity CV for adiabatic expansions
42.3.3. When P is the more convenient variable
42.3.4. Joule expansion
42.3.5. Joule-Thomson expansion
43. Entropy of Gases
43.1. Calculation of Entropy
43.1.1. Entropy of Real Gases
44. Critical Phenomena
44.1. Critical Behavior of fluids
44.1.1. Gas Laws in the Critical Region
44.1.2. Gas Constants from Critical Data
44.2. The Law of Corresponding States
44.3. Phase Equilibrium
44.3.1. The chemical potential and T and P
44.3.2. The Clapeyron Equation
44.3.3. Vapor Equilibrium and the Clausius-Clapeyron Equation
44.4. Equilibria of condensed phases
44.5. Triple Point and Phase Diagrams
45. Transport Properties of Fluids
45.2. Viscosity
45.3. Thermal conductivity
45.3.1. Thermal Conductivity of Gases and Liquids
45.3.2. Thermal Conductivity of Solids
46. Solutions
46.1. Measures of Composition
L solution
46.2. Partial Molar Quantities
46.2.1. Notation
46.2.2. Partial Molar Volumes
46.3. Reference states for liquids
46.3.1. Activity (a brief review)
46.3.2. Raoult’s Law
46.3.3. Ideal Solutions (RL)
46.3.4. Henry’s Law
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26491797 457454 Physical Chemistry Quantum Chemistry[1]

26491797 457454 Physical Chemistry Quantum Chemistry[1]

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Published by: rajasebastian on May 21, 2011
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