A novel generic method for prediction of spectral line shapes from Molecular Dynamics modelling: Application to EPR

Oganesyan, Vasily (Principal Investigator)

Status	Finished
Effective start/end date	1/01/17 → 31/12/18

Funding

Engineering and Physical Sciences Research Council: £213,632.00

6 Article

Unravelling guest dynamics in crystalline molecular organics using ²H solid-state NMR and molecular dynamics simulation
Erastova, V., Evans, I. R., Glossop, W. N., Guryel, S., Hodgkinson, P., Kerr, H. E., Oganesyan, V. S., Softley, L. K., Wickins, H. M. & Wilson, M. R., 10 Jul 2024, In: Journal of the American Chemical Society. 146, 27, p. 18360–18369 10 p.
Research output: Contribution to journal › Article › peer-review

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Thermoelectric enhancement in single organic radical molecules
Hurtado-Gallego, J., Sangtarash, S., Davidson, R., Rincón-García, L., Daaoub, A., Rubio-Bollinger, G., Lambert, C. J., Oganesyan, V. S., Bryce, M. R., Agraït, N. & Sadeghi, H., 9 Feb 2022, In: Nano Letters. 22, 3, p. 948-953 6 p.
Research output: Contribution to journal › Article › peer-review

Open Access
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34 Citations (Scopus)

17 Downloads (Pure)
DEER and RIDME measurements of the nitroxide-spin labelled copper-bound amine oxidase homodimer from Arthrobacter Globiformis
Russell, H., Stewart, R., Prior, C., Oganesyan, V. S., Gaule, T. G. & Lovett, J. E., Aug 2021, In: Applied Magnetic Resonance. 52, 8, p. 995–1015 21 p.
Research output: Contribution to journal › Article › peer-review

Open Access
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9 Citations (Scopus)

14 Downloads (Pure)