A DFT study on the relative affinity for oxygen of the α and β subunits of hemoglobinJean‐Didier Maréchal, David Pérahia, Feliu Maseras et al.|Journal of Computational Chemistry|2006Cited by 14
Ab initio calculations predict a very low barrier for the rotation of the axial ligand in Fe(P)(Im)Jean‐Didier Maréchal, David Pérahia, Feliu Maseras et al.|Chemical Physics Letters|2002Cited by 9
Theoretical modeling of the heme group with a hybrid QM/MM methodJean‐Didier Maréchal, David Pérahia, Guada Barea et al.|Journal of Computational Chemistry|2000Cited by 1