Work Package III: Development of Active “Smart” Materials

Task 10. Preparation and in silico characterisation of novel active species (chromophores and magnetic probes)

Task 11. Rational design, preparation and characterization of smart responsive materials 


Structure, Dynamic and Photophysical Properties of a Fluorescent Dye Incorporated in an Amorphous Hydrophobic Polymer Bundle

Nicola De Mitri, Giacomo Prampolini, Susanna Monti, Vincenzo Barone

Phys.Chem.Chem.Phys., 16, 16573 (2014)

Evidences of long lived cages in functionalized polymers: Effects on chromophore dynamic and spectroscopic properties

Giacomo Prampolini, Susanna Monti, Nicola De Mitri, Vincenzo Barone

Chem. Phys. Lett., 601, 134–138 (2014)

Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases

Vincenzo Barone, Malgorzata Biczysko, Julien Bloino, Luciano Carta, Alfonso Pedone

Computational and Theoretical Chemistry, 1037,  35–48 (2014)

Environmental and complexation effects on the structures and spectroscopic signatures of organic pigments relevant to cultural heritage: the case of alizarin and alizarin–Mg(II)/Al(III) complexes

Luciano Carta, Malgorzata Biczysko, Julien Bloino, Daniele Licari and Vincenzo Barone

  Phys. Chem. Chem. Phys.,16, 2897-2911 (2014)