טוען...
Dissociation of polycyclic aromatic hydrocarbons: molecular dynamics studies
We present dynamical studies of the dissociation of polycyclic aromatic hydrocarbon (PAH) radical cations in their ground electronic states with significant internal energy. Molecular dynamics simulations are performed, the electronic structure being described on-the-fly at the self-consistent-charg...
שמור ב:
| הוצא לאור ב: | Philos Trans A Math Phys Eng Sci |
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| Main Authors: | , , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
The Royal Society Publishing
2017
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5360896/ https://ncbi.nlm.nih.gov/pubmed/28320900 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsta.2016.0195 |
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