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 27, 2008)
Announcements
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)