publication . Article . Other literature type . 2017

Principal molecular axis and transition dipole moment orientations in liquid crystal systems: an assessment based on studies of guest anthraquinone dyes in a nematic host

Sims, Mark Timothy; Abbott, Laurence Colin; Cowling, Stephen James; Goodby, John William; Moore, John N;
Open Access
  • Published: 01 Jan 2017 Journal: Physical Chemistry Chemical Physics, volume 19, pages 813-827 (issn: 1463-9076, eissn: 1463-9084, Copyright policy)
  • Publisher: Royal Society of Chemistry (RSC)
  • Country: United Kingdom
Abstract
Analyses of MD simulations assess different definitions of the axes along which molecules align in a nematic host, and the effects of molecular flexibility on transition dipole moment orientations.
Subjects
arXiv: Astrophysics::Earth and Planetary Astrophysics
free text keywords: Molecular dynamics, Transition dipole moment, Chemical physics, Density functional theory, Tensor, Chromophore, Chemistry, Molecular geometry, Stereochemistry, Liquid crystal, Computational chemistry, Moment of inertia, F100, 3100, 1606
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publication . Article . Other literature type . 2017

Principal molecular axis and transition dipole moment orientations in liquid crystal systems: an assessment based on studies of guest anthraquinone dyes in a nematic host

Sims, Mark Timothy; Abbott, Laurence Colin; Cowling, Stephen James; Goodby, John William; Moore, John N;