Chemistry 394-01     Spring 2009

Link to the WebMO server at Hope College

Announcements: (3/19/09) Remember that class is canceled on Monday, March 23, but you have Problem Set 6 due on Thursday, March 26, and your Final Project Proposal due on Friday, March 27. I will be at the American Chemical Society meeting from March 21-26, but should be in e-mail contact most of the time.

Syllabus: html and .pdf formats 

Final Project Description: html and .pdf formats 

Homework:     

     Problem Set 1 (due 2/2/09):     Assignment     Partial Key

     Problem Set 2 (due 2/9/09):     Assignment     Key

     Problem Set 3 (due 2/16/09):   Assignment     Key

     Problem Set 4 (due 2/23/09):   Assignment     Key

     Problem Set 5 (due 3/9/09):     Assignment     Key

     Problem Set 6 (due 3/26/09):   Assignment     Key

Lecture Transparencies and Handouts:     

     Week 2: Geometry Optimization Example

     Week 2: Z-Matrix Example + Klyne-Prelog Conformation Labels

     Week 3: Picture of a Saddle Point + the Hammond Postulate

     Week 6: Slater-Type Orbitals and Gaussian-Type Orbitals

     Week 7: More on Basis Sets; Levels of Theory

Random (Useful) Information:     

     Simple Solvation Calculations

     Sample .com File for Group 15 Calculations with a LANL2DZ Basis Set with Polarization and Diffuse Functions

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Last modified 7 April 2009