QM/MM calculations with DFT for taking into account protein effects on the EPR and optical spectra of metalloproteins. Plastocyanin as a case study

par Sinnecker, Sebastian
Publié dans: Journal of computational chemistry (2006)

High-field EPR investigations of Mn(III)Mn(IV) and Mn(II)Mn(III) states of dimanganese catalase and related model systems

par Teutloff, Christian
Publié dans: Magnetic resonance in chemistry : MRC (2005)