Project: Expansion of the computational infrastructure for the ab initio study of macrocycles.
- project duration
- 01-MAY-96 – 31-DEC-99
- In order to be able to complete the current research project : 'Ab initio study of complexes of alkaline-earth metal ions with C2 and C3 bidentate ligands and macrocycles' a new UNIX workstation is needed. This workstation will help in the calculations using GAMESS, GAUSSIAN and BRABO calculations.