Within WWW.COMCHEM.DE you can find calculated and visualized melecular structures. The calculations of molecular structures and properties are carried out by using modern quantumchemical - (ab initio-, DFT-, semi-empirische-) and molecular mechanic methods.

Structures were determined with SPARTAN 5.0 on a SILICON GRAPHICS OCTANE at the INSTITUT OF ORGANIC CHEMISTRY of the UNIVERSIY OF HAMBURG and with a HEWLETT PACKARD V-CLASS ENTERPRISE SERVER V2250 at the REGIONAL COMPUTER CENTRE of the UNIVERSITY OF HAMBURG.

Molecular properties as electronic structures were calculated on the HP V-CLASS too, using the programms GAUSSIAN 98 and SPARTAN 5.0 . Therefor I used density functional methods.

The calculated 3D - structures were used for making high quality pictures, where the programm POV-RAY was used for. The with POV-RAY made animations and pictures were calculated out of the 3D data, determined by SPARTAN 5.0 (VRML, pdb). They are useful for understanding the chemical structures.