Header image DiSC logo    nmrlab  

Dipartimento di Scienze Chimiche

 
 
Welcome to the NMRLAB homepage -
Experimental and Computational NMR Spectroscopy

Our scientific activity is focused on experimental and computational nuclear magnetic resonance spectroscopy (NMR). Main research topics include:

  • Computational prediction of NMR parameters: natural substances, molecules containing heavy atoms, paramagnetic complexes and non-covalent interactions
  • Solvation of small molecules and nanosystems
  • Development of experimental NMR methods for accurate determination of small coupling constants, detection of intermolecular NOEs and other weak interactions
  • Ionic Liquid Crystals: synthesis, characterization and molecular dynamics (MD) simulations
For details, please visit the RESEARCH page.

Assegno di ricerca disponibile / Post-doctoral fellowship available






RECENT PUBLICATIONS



spin-state
                        energetics
Predicting the spin state of paramagnetic iron
complexes by DFT calculation of proton
NMR spectra. Dalton Trans. 2014


Gd-DOTADirect Detection of 17O in [Gd(DOTA)]- by NMR Spectroscopy. Chem. Eur. J. 2014

Zero-field NMRZero-field nuclear magnetic resonance spectroscopy of viscous liquids. J. Magn. Reson. 2014


Viologens

  Viologen-based ionic liquid crystals: induction of a smectic A phase by dimerisation. Phys. Chem. Chem. Phys. 2014