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Gas phase molecular modeling of liquid crystals: Electro‐optical anisotropies
Author(s) -
Bremer Matthias,
Tarumi Kazuaki
Publication year - 1993
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.19930051112
Subject(s) - materials science , liquid crystal , anisotropy , optical anisotropy , chemical physics , torsion (gastropod) , phase (matter) , liquid phase , optics , molecular physics , analytical chemistry (journal) , thermodynamics , optoelectronics , organic chemistry , physics , medicine , chemistry , surgery
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.