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Updated: Aug 11, 2026

Preparation of a Corannulene-functionalized Hexahelicene by Copper(I)-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units
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Preparation of a Corannulene-functionalized Hexahelicene by Copper(I)-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units

Published on: September 18, 2016

Coarse-grained interaction potentials for polyaromatic hydrocarbons

O A von Lilienfeld1, Denis Andrienko

  • 1Department of Chemistry, New York University, New York, New York 10003, USA. ovt203@nyu.edu

The Journal of Chemical Physics
|February 14, 2006
PubMed
Summary

Density-functional theory accurately predicts polyaromatic hydrocarbon interactions using nonlocal corrections. This research enables coarse-grained potentials for studying liquid-crystal phases of macromolecules.

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