Gas phase molecular modeling of liquid crystals: Electro-optical anisotropies

Authors

  • Dr. Matthias Bremer,

    Corresponding author
    1. Liquid Crystal Research Department Frankfurterstrasse 250, D-64271 Darmstadt (FRG)
    • Liquid Crystal Research Department Frankfurterstrasse 250, D-64271 Darmstadt (FRG)
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  • Dr. Kazuaki Tarumi

    1. Liquid Crystal Research Department Frankfurterstrasse 250, D-64271 Darmstadt (FRG)
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  • Thanks are due to all members of the LC Research Division for the synthesis and characterization of LC materials, and to V. Reiffenrath for helpful discussions.

Abstract

Molecular modeling of liquid crystals is important as it provides information without the need for chemical synthesis. The first ever quantitative correlation of semiempirically obtained quantities with electro-optical parameters measured in 80 bulk liquid crystals is reported here. The Figure shows the calculated relative energy of an LC as a function of two torsion angles.

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