Computers in Chemistry - Molecular Modeling
4:30 - 6:00 TuTh (Chemistry, Room 9)
H. B. Schlegel, 371 Chemistry, 7-2562, hbs@chem.wayne.edu
(last update: December 20, 2006)
Announcements
Final Project Written Reports due no later than Dec. 22, 5:00pm. (can be submitted by e-mail)
Final Project Presentations - Dec. 21, 4:30-6:00. Sushant Sahu, Fadel Shalhout, Tiffany Gaines, MaryBeth Ketko, Sowmya Saiprasad, Huali Wang, Rachelle Rudden, Pahan Godakumbura
Samples of Term Project Presentations
Assignments
Lectures
Introduction to Molecular Orbitals (Notes)
Semi-Empirical Molecular Orbital Methods (Notes)
Geometry optimization, Reaction path following (Notes)
Density Functional Theory (Notes)
Solvent Effects (Notes-1) (Notes-2)