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

Oganesyan, Vasily S. ORCID: https://orcid.org/0000-0002-8738-1146 (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
UEA Research Groups: Faculty of Science > Research Groups > Chemistry of Light and Energy
Faculty of Science > Research Groups > Chemistry of Life Processes
Faculty of Science > Research Centres > Centre for Molecular and Structural Biochemistry
Faculty of Science > Research Groups > Centre for Photonics and Quantum Science
Depositing User: LivePure Connector
Date Deposited: 15 Aug 2018 09:32
Last Modified: 09 Feb 2023 13:45
URI: https://ueaeprints.uea.ac.uk/id/eprint/68037
DOI: 10.1080/02678292.2018.1508767

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