3DNormalModes
is an educational program, suitable for undergraduate
students in chemistry. It provides a convenient way
to illustrate how a molecule vibrates and the properties
of its normal modes of vibration in a real 3D environment.
3DNormalModes
includes a database with information concerning the
experimental fundamental frequencies and the corresponding
normal modes of several inorganic and organic molecules.
The normal modes have been calculated by ab initio
HF/3-21G calculations.
3DNormalModes
enables you or your students to choose one of 28 different
molecules, orient it appropriately on the screen,
choose any of its normal vibrational modes, and animate
molecular vibrations in 3D.
In summary with 3DNormalModes
you can:
-
Animate a normal mode of a selected
molecule in a 3D environment.
- Rotate and zoom in/out the molecule so that
the vibration can be observed from any viewpoint.
- Adjust the speed of the animation to see the motion
clearly.
- Display the atom displacement vectors for the
animated normal mode.
- Adjust the length of the displacements of the
atoms.
- Display the simplified IR and Raman spectra of
the selected molecule and select a fundamental
frequency .
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