Comparison of noncovalent interactions of zigzag and armchair carbon nanotubes with heterocyclic and aromatic compounds: Imidazole and benzene, imidazophenazines, and tetracene
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DOI: 10.1016/j.chemphys.2016.11.011
Abstract: Abstract We study non-covalent functionalization of SWCNT by linear heterocyclic compounds such as imidazophenazine ( F1 ) and its derivatives ( F2 – F4 ). MP2 and DFT/M05-2X quantum-chemical methods are used to determine the… read more here.
Keywords: armchair carbon; interactions zigzag; armchair nanotubes; comparison noncovalent ... See more keywords