Literature DB >> 17014203

Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives.

Denis Andrienko1, Valentina Marcon, Kurt Kremer.   

Abstract

Using atomistic molecular dynamics simulations we study solid and liquid crystalline columnar discotic phases formed by alkyl-substituted hexabenzocoronene mesogens. Correlations between the molecular structure, packing, and dynamical properties of these materials are established.

Entities:  

Year:  2006        PMID： 17014203     DOI： 10.1063/1.2354156

Source DB:  PubMed          Journal:  J Chem Phys        ISSN： 0021-9606            Impact factor:   3.488


  2 in total

1.  The influence of tether number and location on the self-assembly of polymer-tethered nanorods.

Authors:  Li Zhao; Xiang-Gui Xue; Zhong-Yuan Lu; Ze-Sheng Li
Journal:  J Mol Model       Date:  2011-03-01       Impact factor: 1.810

2.  Molecular dynamics simulations of the self-organization of side-chain decorated polyaromatic conjugation molecules: phase separated lamellar and columnar structures and dispersion behaviors in toluene solvent.

Authors:  Lanyan He; Pingmei Wang; Lipeng He; Zhou Qu; Jianhui Luo; Baoliang Peng; Xianqiong Tang; Yong Pei
Journal:  RSC Adv       Date:  2018-03-21       Impact factor: 3.361
  2 in total

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