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Pulse-induced nonequilibrium dynamics of acetylene inside carbon nanotube studied by an ab initio approach
Nanoscale molecular confinement substantially modifies the functionality and electronic properties of encapsulated molecules. Many works have approached this problem from the perspective of quantifying ground-state molecular changes, but little is known about the nonequilibrium dynamics of encapsula...
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| Autores principales: | , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
National Academy of Sciences
2012
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3384154/ https://ncbi.nlm.nih.gov/pubmed/22615352 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1204388109 |
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