Dissociation and isomerization following ionization of ethylene: insights from non-adiabatic dynamics simulations
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arXiv
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| Main Authors: | Fransén, Lina, Tran, Thierry, Nandi, Saikat, Vacher, Morgane |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Online Access: | |
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