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- Title
Theoretical evaluation of conformational preference of the hexafluoroethane molecule in nanotubes.
- Authors
Kuznetsov, V.
- Abstract
The article discusses the theoretical evaluation of conformational preference of the hexafluoroethane molecules in nanotubes. It examines the value of the hindered barrier rotation in hexafluoroethane of the staggered conformer. It notes that nanotubes has influenced the chemical and physical characteristics of encapsulated molecules and properties. It also emphasizes the minimum potential energy of internal rotation in staggered conformer for free molecules.
- Subjects
NANOTUBES; HEXAFLUOROETHANE; FLUOROCARBONS; FREE molecules; CONFORMERS (Chemistry); POTENTIAL energy surfaces
- Publication
Russian Journal of General Chemistry, 2013, Vol 83, Issue 8, p1623
- ISSN
1070-3632
- Publication type
Letter
- DOI
10.1134/S1070363213080264