Academy of Finland
Funding decision
Name Vaara, Juha
Organisation OY
Project title
NMR Theory for Paramagnetic Systems
Decision No. 296292
Decision date 10.06.2016
Funding period 01.09.2016 - 31.08.2020
Funding 406 460
WebFOCUS Report
Project description
Nuclear magnetic resonance (NMR) is the most important spectroscopic means of studying the microstructure and dynamical properties of molecules and materials. In this project we develop and apply the theory and computational methods necessary for quantitative modelling the NMR of so-called paramagnetic molecules, which contain unpaired electrons. The large magnetic moment of these electrons causes large changes in the experimental NMR spectra of paramagnetic materials as compared to diamagnetic ones, as well as significant theoretical challenges in the understanding of the spectral parameters. The results of this project can be applied in the development of, e.g., the contrast agents of magnetic resonance imaging, materials of relevance for nuclear waste disposal, as well as to enhance the sensitivity of NMR as an analytical method of detecting smaller amounts of substances than before.