Datasets
- 12 results
Search results
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Data from the paper "Shape segregation in molecular organisation: a combined X-ray scattering and molecular dynamics study of smectic liquid crystals"
Sims, M. T. (Creator), Abbott, L. C. (Contributor), Goodby, J. W. (Contributor) & Moore, J. (Supervisor), University of York, 2019
DOI: 10.15124/42e530cf-ca08-40ce-b182-cdeefe317801
Dataset
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MD input files from the paper "Dyes in liquid crystals: experimental and computational studies of a guest-host system based on a combined DFT and MD approach"
Moore, J. (Supervisor), Sims, M. T. (Creator), Abbott, L. C. (Contributor), Cowling, S. J. (Contributor) & Goodby, J. W. (Supervisor), University of York, 7 Dec 2018
DOI: 10.15124/f90163d1-2214-4f5f-bbca-f40ed2041a6e
Dataset
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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. (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
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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. (Supervisor), University of York, Jan 2018
DOI: 10.15124/f6dc7a75-3e99-4c07-bcb6-0b06baf13d66
Dataset
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Data from the paper "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, M. T. (Creator), Abbott, L. C. (Contributor), Cowling, S. J. (Contributor), Goodby, J. W. (Supervisor) & Moore, J. (Supervisor), University of York, 2016
DOI: 10.15124/63f43299-ec63-4573-a26a-6f481a735cda
Dataset
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MD input files from the paper "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, M. T. (Creator), Abbott, L. C. (Contributor), Cowling, S. J. (Contributor), Goodby, J. W. (Supervisor) & Moore, J. (Supervisor), University of York, Jan 2018
DOI: 10.15124/0a493b85-9e02-4b0d-9104-ff922cbd8fa5
Dataset
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Data from the paper "Dyes for Guest-Host Liquid Crystal Applications: a General Approach to the Rapid Computational Assessment of Useful Molecular Designs"
Sims, M. T. (Creator), Abbott, L. C. (Creator), Mandle, R. (Contributor), Goodby, J. W. (Contributor) & Moore, J. N. (Supervisor), University of York, 16 Mar 2023
DOI: 10.15124/b0ec889e-945a-4f66-88aa-169740cfc151
Dataset
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Data from the paper "Dyes in liquid crystals: experimental and computational studies of a guest-host system based on a combined DFT and MD approach"
Moore, J. (Supervisor), Sims, M. T. (Creator), Abbott, L. C. (Contributor), Cowling, S. J. (Contributor) & Goodby, J. W. (Supervisor), University of York, 2015
DOI: 10.15124/72d38707-9c5f-4169-8dee-a1887c3412d2
Dataset
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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
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Data 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. (Supervisor), University of York, 2016
DOI: 10.15124/09be4b46-07a8-4b4c-826c-5fc5f0fd0ed3
Dataset
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Data from the paper "Considerations in the determination of orientational order parameters from X-ray scattering experiments"
Sims, M. T. (Creator), Abbott, L. C. (Contributor), Richardson, R. (Contributor), Goodby, J. W. (Supervisor) & Moore, J. (Supervisor), University of York, 2018
DOI: 10.15124/57d8b69a-c6d8-4a6a-bfae-39814f572860
Dataset
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Data 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, 2017
DOI: 10.15124/06329a1e-86d1-4480-ae99-0dcd94591044
Dataset