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4n-coronene

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Theoretical molecule

Theoretical prediction for Coronene molecule modified with with four nitrogen atoms :

LDA predicted HOMO for this molecule:

and LUMO:

Example test outputs

Example of scans over this molecule, with different probing orbitals and different scanning modes (AFM, STM, dI/dV … ).

Scans at the energy of HOMO:

Scans at the energy of LUMO:

4n-coronene.1487604621.txt.gz · Last modified: 2017/02/20 16:30 (external edit)