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Thermodynamic Complexing of Monocyclopentadienylferrum (II) Intercalates with Double-Walled Carbon Nanotubes

By employing the methods of molecular mechanics, semi-empirical quantum-chemical РМ3 and Monte-Carlo, the positioning of monocyclopentadienylferrum (II) molecules in double-walled (5,5)@(10,10) carbon nanotubes (CNT) depending on their concentration and temperature has been studied. The molecules ha...

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Publicat a:Nanoscale Res Lett
Autors principals: Мykhailenko, О. V., Prylutskyy, Yu I., Кomarov, І. V., Strungar, А. V.
Format: Artigo
Idioma:Inglês
Publicat: Springer US 2016
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4781790/
https://ncbi.nlm.nih.gov/pubmed/26951128
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s11671-016-1351-7
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