Chemistry 8330, Spring Semester 2009
|Week of January 19||M: Martin Luther
Chapter 1: What are Theory, Computation, and Modeling?
F: Assignment #1
|Week of January 26||Chapter 2: Molecular Mechanics
M: Cancelled. W: Resources posted. F: Assignment #2
|Week of February 2||Chapter 3: Simulations of Molecular Ensembles
M: On Assignments. W: Finish Chapter #2. F: Start Chapter #3.
|Week of February 9||Chapter 4: Foundations of Molecular Orbital Theory
F: Start Chapter #4.
|Week of February 16||Chapter 5: Semiempirical MO Theory
F: TEST #1
|Week of February 23||Chapter 5: More Semiempirical Theory
R: Computer Room Gaussian Workshop, 7-9pm (1/26 make-up & 1 credit).
|Week of March 2||Chapter 6: Hartree-Fock MO Theory
M: Chapter 6 on Basis Sets. W: In-class discussion of A#5. Finish Chapter 5.
Saturday, 03/07/09, 11am-noon: Gaussian Clinic
|Week of March 9||Chapter 6: Gaussian on Personal Computers.|
|Week of March 16||Chapter 6: Gaussian on UMBC Systems.
F: TEST #2
|Week of March 23||SPRING BREAK|
|Week of March 30||
M: Attend OCS Lecture by Dr. Jingjing Zheng, Minnesota
Chapter 7: Including Electron Correlation in MO Theory
|Week of April 6||
W & F: Chapter 8: Density Functional Theory
F: Attend Colloquium by Dr. Krishnan Raghavachari, Indiana
|Week of April 13||Chapters 9 & 10: Charge Distribution, Spectroscopy, and Thermodynamic Properties|
|Week of April 20||Chapters 11 & 12: Models for Condensed Phase
F: TEST #3
|Week of April 27||Chapter 13: Hybrid Quantal/Classical Models|
|Week of May 4||Chapter 14: Excited Electronic States|