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These pages given an overview on the molecular orbitals of some compounds as calculated from DFT methods.

View the molecular orbitals of:

For the relevant orbitals of these compounds, computer-generated grpahics of the corresponding iso-probability surfaces and their nodal planes are given. For most of these orbitals, 3D-models (VRML-type models) are available that can be freely rotated after downloading.

Molecular Orbitals
Electron Density Contours of Ethane
For a more detailed description of atomic orbitals see the corresponding gallery of hydrogenic or atomic orbitals. All graphics and iso-contour surfaces shown on this page were created using the MolArch+ program and POVRAY Persistence of Vision Raytracer. Electron densities were calculated on three dimensional grids for the corresponding molecules using the JAGUAR program.

© Copyright PD Dr. S. Immel