ol6b00365_si_002.zip (98.83 kB)
A Theoretical Study on the Strain Energy of Carbon Nanobelts
dataset
posted on 2016-03-08, 19:54 authored by Yasutomo Segawa, Akiko Yagi, Hideto Ito, Kenichiro ItamiA theoretical
study on the strain energy of carbon nanobelts, i.e.
the belt-shaped molecules representing the sidewall structures of
carbon nanotubes, is reported. The strain energy of carbon nanobelts
with chiral indices (n,n), (n,0), and (n,m) was determined
without considering hypothetical homodesmotic reactions. The calculated
difference between the strain energy of carbon nanobelts and their
possible precursors is expected to be of great utility for future
synthetic purposes.
