Chemistry 4PB3/6PB3: Computational Methods
Assignment #1 Solution to Assignment#1
Assignment #2 Solution to Assignment#2
Project #1 - Exploring Gaussian Solutions to Project#1
Project #2 - Exploring Gaussian Solutions to Project#2 cis-trans-extended-question
Project #3 Instructions
Possible
projects
Gauss View tutorial Gaussian09 help pages
Semi-empirical methods & parameterization
Getting started -accessing ripper from your laptop
MobaXterm - X-windows for a Windows PC (XP, Win-7, Win-8)
Course references
Christopher J. Cramer, Essentials of Computational Chemistry: Theories and Models (Wiley, Chichester, 2004).
Engel & Reid, Physical Chemistry (Pearson, 2006)
Interesting reading
Chemical and Enginering News, Sep 2014 "Computational Chemistry"
Symmetry, Group Theory and Molecular Electronic Structure (lecture notes of Claire Vallance, Ocford, level 2 course)
last changed: 27 Mar 2019 (aph)