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Key Factors in Determining the Arrangement of [small pi]-Conjugated Oligomers inside Carbon Nanotubes

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Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP03433G, Paper
Takashi Yumura, Hiroki Yamashita
Density functional theory (DFT) calculations with dispersion corrections elucidated key factors for determining the arrangement of [small pi]-conjugated oligomers inside a carbon nanotube. The current study considered methyl-terminated terfurans as guests...
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