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SUMMARY:Combined first principles and experimental NMR of paramagnetic mat
 erials - application to LiTi(x)Mn(2-x)O4 cathode material - Roberta Piglia
 pochi (Chemistry)
DTSTART:20170118T110000Z
DTEND:20170118T120000Z
UID:TALK70890@talks.cam.ac.uk
CONTACT:Joseph Nelson
DESCRIPTION:Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful to
 ol for studying properties of paramagnetic solids at the molecular level. 
 However\, the interpretation of paramagnetic NMR spectra is often very cha
 llenging as a result of the interactions of unpaired electrons with the nu
 clear spins of interest. In this study we present a comprehensive computat
 ional method to rationalise the NMR spectra of the LiTi(x)Mn(2-x)O4 series
  from first principles\, enabling a detailed understanding of the electron
 ic and structural properties of the system.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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