Dyes in Liquid Crystals: Experimental and Computational Studies of a Guest-Host System Based on a Combined DFT and MD Approach

An atomistic description of the nematic and smectic phases of 4-n-octyl-4′ cyanobiphenyl (8CB)

(2013) Mattia Felice Palermo et al.   JOURNAL OF CHEMICAL PHYSICS

Structure and Reactivity of Thiazolium Azo Dyes: UV–Visible, Resonance Raman, NMR, and Computational Studies of the Reaction Mechanism in Alkaline Solution

(2013) Laurence C. Abbott et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Alignment of Small Organic Solutes in a Nematic Solvent: The Effect of Electrostatic Interactions

(2012) A. Pizzirusso et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Impact of Vibronic Couplings on Perceived Colors: Two Anthraquinones as a Working Example

(2012) Denis Jacquemin et al.   Journal of Physical Chemistry Letters

Superior alignment of multi-chromophoric perylenebisimides in nematic liquid crystals and their application in switchable optical waveguides

(2012) Amol M. Kendhale et al.   Journal of Materials Chemistry A

TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes

(2011) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Anthraquinone Liquid crystal dichroic dyes – a new form of chromonic dye?

(2011) Stephen J. Cowling et al.   LIQUID CRYSTALS

Correlations among molecular structures, solubilities in fluorinated media, thermal properties and absorption spectra of anthraquinone dichroic dyes with phenylthio and/or anilino groups

(2011) Hiroki Iwanaga et al.   LIQUID CRYSTALS

Solar Energy Collectors with Tunable Transmission

(2010) Michael G. Debije   ADVANCED FUNCTIONAL MATERIALS

Study of runaway electron behaviour during electron cyclotron resonance heating in the HL-2A Tokamak

(2010) Yi-Po Zhang et al.   Chinese Physics B

Molecular complexity and the control of self-organising processes

(2009) John W. Goodby et al.   LIQUID CRYSTALS

Synthesis and characterization of bent-shaped azobenzene monomers: Guest–host effects in liquid crystals with azo dyes for optical image storage devices

(2009) M.R. Lutfor et al.   OPTICAL MATERIALS

Towardsin SilicoLiquid Crystals. Realistic Transition Temperatures and Physical Properties forn-Cyanobiphenyls via Molecular Dynamics Simulations

(2008) Giustiniano Tiberio et al.   CHEMPHYSCHEM

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Improvement of White Fluorescent Liquid Crystal Display

(2008) R. Yamaguchi et al.   MOLECULAR CRYSTALS AND LIQUID CRYSTALS

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation