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Scalable Nanohelices for Predictive Studies and Enhanced 3D Visualization
Published on: November 12, 2014
A theoretical study on the strain energy of helicene-containing carbon nanobelts
Kosuke Watanabe1, Yasutomo Segawa, Kenichiro Itami
1Graduate School of Science, Nagoya University, Chikusa, Nagoya 464-8602, Japan. itami@chem.nagoya-u.ac.jp.
Abstract:
In this study, the theoretical analysis of the strain energy of helicene-containing carbon nanobelts is reported. It was found that the combined method of linear regression analysis and suitable homodesmotic reactions can successfully estimate the strain energies of various helicene-containing carbon nanobelts including previously synthesized chiral (18,12) carbon nanobelts.
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