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SPR Electron Paramagnetic Resonance
Electron Paramagnetic Resonance: Volume 24
Edited by
Damien M Murphy;
Damien M Murphy
University of Cardiff, UK
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Bruce Gilbert
Bruce Gilbert
University of York, UK
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Volume
24
Hardback ISBN:
978-1-84973-981-8
PDF ISBN:
978-1-78262-028-0
EPUB ISBN:
978-1-78262-306-9
No. of Pages:
193
Published online:
03 Sep 2014
Published in print:
19 Sep 2014
Book Chapter
Chapter 2: Computational approaches for simulating motional EPR spectra
By
Vasily S. Oganesyan
Vasily S. Oganesyan
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-
Published:03 Sep 2014
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Page range:
32 - 61
Citation
V. S. Oganesyan, in Electron Paramagnetic Resonance: Volume 24, ed. V. Chechik, D. M. Murphy, and B. Gilbert, The Royal Society of Chemistry, 2014, vol. 24, ch. 2, pp. 32-61.
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This review describes theoretical and computational methods for the simulation of continuous wave (CW) EPR spectra arising from the molecular motions of nitroxide spin labels and probes. Recent methodological developments in the area are described and evaluated. Applications to a range of molecular systems, including liquid crystals and proteins, are illustrated.
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