Open PhD Fellowship in “Theoretical NMR spectroscopy of paramagnetic molecules” at the Technical University of Berlin
Description of the position The topic is nuclear magnetic resonance (NMR) spectroscopy of paramagnetic molecules, e.g. transition metal and lanthanide complexes. The theoretical description of NMR spectra of open-shell paramagnetic molecules is a challenge quite different from the well-known theory of closed-shell diamagnetic molecules. Dynamic electron correlation effects, relativistic effects like spin–orbit coupling, and thermal …