On the diverse bonding situations in nanostructures : an ab initio computational study

On the diverse bonding situations in nanostructures : an ab initio computational study

This computational study investigates diverse bonding situations in nanostructures (carbon nanotubes, fullerenes, metal compounds) spanning a broad range of energies. Weak, dispersive interactions and covalent metal-ligand and metal-metal bonding are examined. The results of efficient density functi...

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Bibliographic Details
Main Author: Pankewitz, Tobias (auth)
Format: Book Chapter
Published: KIT Scientific Publishing 2010
Subjects:
open-cage fullerenes
single-walled carbon nanotubes
subvalent aluminium and magnesium compounds
computational chemistry
nanostructures
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