320026 UE Excersises: Molecular Modelling (2013W)

Some fundamental program packages of Molecular Modelling and Molecular Calculations will be presented. An introduction will be given for the software packages Hyperchem, Alchemy and GAUSSIAN. The building of molecules with the help of these programs will be done and molecular geometries and other molecular properties will be calculated. Finally, the search for molecular geometries in different data bases will be performed.