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Quantum Chemistry Lecture Notes
Chemistry 4681 Module:
Electronic Structure of Small Molecules
Last Revised: 14 March 2000
Class Meetings
Instructor
Requirements and Grading Scheme
Required Reading
Suggested Reading
Supplemental Reading
Brief Lab Overview
Literature Review
Project 1: Molecular Properties and Comparison of Theoretical Methods
Project 2: Constructing Walsh Diagrams for a Small Polyatomic Molecule
Lab Report
Using Q-Chem for Windows and Hyperchem
Drawing a Molecule
Setting up a Level of Theory
Optimizing a Geometry
Single-Point Energies
Obtaining Vibrational Frequencies and Thermodynamic Properties
Bibliography
About this document ...
C. David Sherrill
2000-07-21
