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4n-coronene [2017/02/20 16:30]
krejcio created
4n-coronene [2017/02/20 16:37]
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-== Theoretical molecule == 
  
-Theoretical prediction for Coronene molecule modified with with four nitrogen atoms : 
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-{{:​4n-coronene.png|}} 
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-LDA predicted HOMO for this molecule: 
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-{{:​4n-corornene_homo.png|}} 
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-and LUMO: 
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-{{:​4n-coronene_lumo.png|}} 
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-== Example test outputs == 
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-Example of scans over this molecule, with different probing orbitals and different scanning modes (AFM, STM, dI/dV ... ). 
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-Scans at the energy of HOMO: 
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-{{:​homo_energy_far.png|}} 
-{{:​homo_energy_close.png|}} 
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-Scans at the energy of LUMO: 
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-{{:​lumo_energy_far.png|}} 
-{{:​lumo_energy_close.png|}} 
4n-coronene.txt ยท Last modified: 2017/02/20 16:37 (external edit)