Computational Environmental Catalysis at the University of Notre Dame
CHEM 30324 - Spring 2013
Optional Text: Engel and Reid, Physical Chemistry, 2nd edition
| Homework | Course outline |
| Lecture | Suggested Reading | Suggested Problems | Supplementary Material |
|---|---|---|---|
| Lecture 0 Introduction to Molecular Physical Chemistry |
|||
| Lecture 1 Probability and the Boltzmann Distribution |
Chapter 29 |
29.1-29.6, 29.17, 29.24-29.27 |
|
| Lecture 2 Kinetic Theory of Gases |
Chapter 33 |
33.2-33.7, 33.9-33.15, 33.18-33.20, 34.23-33.27, 33.29-33.33 |
|
| Lecture 3 Classical Transport Phenomena |
Chapter 34 |
34.1-34.5 |
|
| Lecture 4 The Birth of Quantum Mechanics |
Chapter 12 |
12.4-12.16, 12.19-12.22, 12.24-12.25 |
|
| Lecture 5 The Schrødinger Equation and the Postulates of Quantum Mechanics |
Chapters 13-14 |
13.10-13.28 |
|
| Lecture 6 The Particle in a Box |
Chapter 15-16 |
15.2-15.5, 15.7-15.9, 15.11-15.12,
15.15, 15.18-15.20, 15.25, 15.28-15.29 16.3-16.5 |
|
| Lecture 7 The Harmonic Oscillator |
pp. 387-392
|
18.8, 18.11-18.17, 18.22-18.23
|
|
| Lecture 8 The Rigid Rotor |
pp. 382-392 pp. 416-421 |
18.20-18.22,18.25,18.30 19.14-19.18 |
|
| Lecture 9 Spectroscopy, Vibrations and Rotations |
Chapter 19 |
19.2, 19.13, 19.15-19.16 |
|
| Lecture 10 The Hydrogen Atom |
pp. 445-460 |
20.1-20.16, 20.19-20.21, 20.26, 20.30 |
|
| Lecture 11 Many-Electron Atoms |
pp. 463-481 |
Questions 21.1, 21.2, 21.4, 21.6,
21.7, 21.10, 21.11-21.15 Problems 21.2, 21.4, 21.8, 21.9, |
|
| Lecture 12 Quantum Mechanics of Chemical Bonding |
pp. 517-541,
563-568
|
23.1-23.5, 23.7-23.8, 23.10-23.13,
24.11, 24.13, 24.16-24.18 |
F2 MO Diagram |
| Lecture 13 Computational Chemistry |
pp. 603-645 |
||
| Lecture 14 Electronic Spectroscopy |
pp. 582-591 |
Questions 25.7, 25.21 |
|
| Lecture 15 Statistical Mechanics and the Canonical Ensemble |
pp. 743-760 |
30.1,30.5,30.6,30.8-30.13 |
|
| Lecture 16 Molecular Partition Functions and the Ideal Gas |
pp. 765-792, 797-815 |
31.1-31.5,31.10-31.14,31.22-31.26, 32.2-32.3,32.11,32.12,32.19,32.22,32.23,32.27,32.37 |
|
| Lecture 17 Reaction Thermodynamics and Equilibria |
pp. 816-823 |
32.41, 32.42 |
|
| Lecture 18 Chemical Kinetics |
Chapter 35 |
35.28,35.29 |
|