Lct Unamur

Theoretical chemistry lab: development of skills in theoretical and quantum chemistry. Our main research topics are- the prediction and interpretation of linear and nonlinear optical properties of molecules, polymers, supramolecular assemblies, and molecular crystals - the prediction and interpretation of the (optical) properties of open-shell systems (radicals, diradicals, multiradicals)- the simulation and interpretation of vibrational spectra (VROA, SFG, hyper-Raman, resonant Raman, VCC, IETS)- the characterisation of structural, reaction, optical, electronic, and magnetic properties of polymer chains - the prediction and comprehension of the molecular properties linked to chirality