Additional Course Materials
(Created: 08/15/16; Updated: 09/01/16)

Gaussian Website and RSC's Lewis3 System
Gaussian Website
UNIX Tutorial for Beginners
Using the NANO Editor
Research Computing at MU

Periodic Systems of the Elements
Dynamic Periodic System

Spectroscopy and Thermochemistry Databases
Nist Web Book

Week 1
Gallery of AOs and MOs: Orbitron
Wolfram Demonstration Project: Visualizing Atomic Orbitals

Week 2
Schlegel's Feature on Exploring Potential Energy Surfaces.
Morokuma et al. article on Intrinsic Reaction Paths
More O'Ferrall-Jencks Diagrams: Goldbook definition and examples and references.
MM4 Parameterization
Sir John Edward Lennard-Jones, 1894-1954

Week 3
The Cambridge Crystallographic Data Centre (CCDC) - Mercury
CIF File Format Documentation
RCSB PDB: RCSB Protein Data Bank
PDB File Format Documentation
Solid State Calculations Using Gaussian: The Definitive Guide to G09 PBC Calculations (PDF)

Week 4
EMSL Office of Science: Basis Set Exchange

Week 7
Thermochemistry in Gaussian (PDF)

Week 8
Exemplary application of Surface and Mapped Surface plots
Topological Analysis of the Electron Density, AIM Theory.

Week 8
G2 Study of the Dissociation of Methyldiazonium