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Displaying the contributions from the fragments on the molecular orbitals levels

Displaying the contributions from the fragments on the molecular orbitals levels

In the figure Chemissian molecular orbital editor is presented.


You can load one or several quantum-chemical Hartree-Fock of DFT Kohn-Sham calculations into single document and analyze compositions of the molecular orbitals.
Using Chemissian you can decompose the molecule into fragments.
Then the program will display contributions from these fragments directly on the molecular orbitals levels.

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