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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: Miyamoto, Yoshiyuki, Zhang, Hong, Rubio, Angel
Formato: Artigo
Lenguaje:Inglês
Publicado: National Academy of Sciences 2012
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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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