Full Quantum dynamics study for H atom scattering from graphene
Fuente:
arXiv
Guardado en:
| Autores principales: | Shi, Lei, Schröder, Markus, Meyer, Hans-Dieter, Pelaez, Daniel, Wodtke, Alec M., Golibrzuch, Kai, Schönemann, Anna-Maria, Kandratsenka, Alexander, Gatti, Fabien |
|---|---|
| Formato: | Preprint |
| Publicado: |
2024
|
| Materias: | |
| Acceso en línea: | |
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