The Chemistry
- To illustrate modern computational chemistry techniques
- Using a blend of Commerical/OpenSource Programs and OSs
- with a form of presentation that (may) anticipate the scientific journals of the future
- Different modules and sub-modules have different aims:
- Some illustrate techniques (geometry optimisation)
- Some aim to give realistic values to be compared to expt
- Some aim to enhance Wet-chemistry labs
- Some aim to illuminate lectures