Mark Timothy Sims — York Research Database

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10 Article

Dyes for guest-host liquid crystal applications: a general approach to the rapid computational assessment of useful molecular designs
Sims, M. T., Abbott, L. C., Mandle, R. J., Goodby, J. W. & Moore, J. N., 3 Apr 2023, In: Physical Chemistry Chemical Physics. 25, 15, p. 10367-10383 17 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
Considerations in the determination of orientational order parameters from X-ray scattering experiments
Sims, M. T., Abbott, L. C., Richardson, R. M., Goodby, J. W. & Moore, J. N., 2 Jan 2019, In: LIQUID CRYSTALS. 46, 1, p. 11-24 14 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
Shape segregation in molecular organisation: a combined X-ray scattering and molecular dynamics study of smectic liquid crystals
Sims, M. T., Abbott, L. C., Goodby, J. W. & Moore, J. N., 11 Sept 2019, (E-pub ahead of print) In: Soft Matter.
Research output: Contribution to journal › Article › peer-review

Open Access
File

Data from the paper "Molecular Design Parameters of Anthraquinone Dyes for Guest-Host Liquid-Crystal Applications: Experimental and Computational Studies of Spectroscopy, Structure and Stability"
Moore, J. N. (Supervisor), Sims, M. T. (Creator), Abbott, L. C. (Contributor), Cowling, S. J. (Contributor) & Goodby, J. W. (Supervisor), University of York, 2016
DOI: 10.15124/0b866c40-395d-4d67-9f15-c28412e953ed
Dataset
MD input files from the paper: Guest-host systems containing anthraquinone dyes with multiple visible transitions giving positive and negative dichroic order parameters: an assessment of principal molecular axes and computational methods
Sims, M. T. (Creator), Mandle, R. (Contributor), Goodby, J. W. (Supervisor) & Moore, J. N. (Supervisor), University of York, Jan 2018
DOI: 10.15124/80a77e2c-6030-4574-bb64-8049a197dac9
Dataset
MD input files from the paper "Experimental and molecular dynamics studies of anthraquinone dyes in a nematic liquid-crystal host: a rationale for observed alignment trends"
Sims, M. T. (Creator), Abbott, L. C. (Contributor), Cowling, S. J. (Contributor), Goodby, J. W. (Supervisor) & Moore, J. N. (Supervisor), University of York, Jan 2018
DOI: 10.15124/f6dc7a75-3e99-4c07-bcb6-0b06baf13d66
Dataset