EPR spectroscopy and molecular dynamics modelling: a combined approach to study liquid crystals

Oganesyan, Vasily S. (2018) EPR spectroscopy and molecular dynamics modelling: a combined approach to study liquid crystals. Liquid Crystals, 45 (13-15). pp. 2139-2157. ISSN 0267-8292

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      Abstract

      This review outlines the recent theoretical and computational developments for the prediction of motional electron paramagnetic resonance spectra with introduced spin probes from molecular dynamics simulations. The methodology is illustrated with applications to thermotropic and lyotropic liquid crystals at different phases and aggregate states.

      Item Type: Article
      Additional Information: A Festschrift in honour of Professor Claudio Zannoni; Guest Editors: Roberto Berardi, Luca Muccioli and Paolo Pasini
      Uncontrolled Keywords: electron paramagnetic resonance (epr),molecular dynamics (md) simulations,md-epr simulation methodology,nitroxide spin probes,thermotropic liquid crystals,lyotropic liquid crystals,discotic liquid crystals,phase transition,aggregate states
      Faculty \ School: Faculty of Science > School of Chemistry
      Depositing User: LivePure Connector
      Date Deposited: 15 Aug 2018 10:32
      Last Modified: 09 Apr 2019 13:38
      URI: https://ueaeprints.uea.ac.uk/id/eprint/68037
      DOI: 10.1080/02678292.2018.1508767

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