Hydrogen bonding inside and outside carbon nanotubes: HF dimer as a case study

In this theoretical work we analyze the noncovalent interactions of molecular complexes formed between the hydrogen bonded HF dimer and single-walled carbon nanotubes (SWCNTs) of different diameters. In particular, the interaction energies of: (i) spatially confined hydrogen fluoride molecules and (...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2016-01, Vol.18 (4), p.2417-2427
Hauptverfasser:	Roztoczy ska, Agnieszka, Koz owska, Justyna, Lipkowski, Pawe, Bartkowiak, Wojciech
Format:	Artikel
Sprache:	eng
Schlagworte:	Bonding Cages Carbon Dimers Exteriors Hydrogen bonding Hydrogen fluoride Single wall carbon nanotubes
Online-Zugang:	Volltext
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