4.3 Article Proceedings Paper

Geometric measures of finite carbon nanotube molecules: a proposal for length index and filling indexes

Journal

PURE AND APPLIED CHEMISTRY
Volume 86, Issue 4, Pages 489-495

Publisher

WALTER DE GRUYTER GMBH
DOI: 10.1515/pac-2014-5006

Keywords

atropisomerism; carbon nanotubes; ISNA-15; macrocycles; nomenclature; polycyclic aromatics; structure

Funding

  1. KAKENHI [24241036, 25810018]
  2. JSPS
  3. Grants-in-Aid for Scientific Research [22540075, 23654020, 25102007, 25810018] Funding Source: KAKEN

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The structural chemistry of carbon nanotube molecules has been of increasing interest, as molecular entities with fundamental structures of finite nanotube molecules have emerged. For the new field to be developed further, appropriate structural descriptors are necessary as the basis for discussion. In this paper, we propose new geometric descriptors for finite nanotube molecules. Based on popular existing descriptors, these new descriptors provide geometric measures for length and bond-and atom-filling in tubular molecular structures.

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