ComSpec3D stands for Computed Spectral Data 3D-Visualization and is an online service for the calculation and visualization of Infrared and Raman spectra and their corresponding normal modes.
A VRML plug-in like Ortega is required to see the normal mode animations.

The service will visualize IR/Raman spectra and 3D animated VRML scenes of normal vibrations of any reasonable structure you input. All data related to the IR and raman spectra like frequencies and normal modes are based on quantum-mechanical calculations performed with the semi-empircal programm VAMP (PM3 method).

If you want a more detailed introduction please visit our introduction section.

>>> To start ComSpec3D please follow this link. <<<

Latest News:
28.-29.03.2005: We have fixed some bugs in our service. We have added some scaling factors to to correct the wavelengths of the calculated IR and raman peaks. Furthermore, we have fixed a problem with charged molecules. Finally, we have corrected the atom color of the molecules in the animated VRML scene. More information about these fixes can be found in the News section.