Highlights

Distinguishing Frenkel (ET) excitons and charge transfer (CT) excitons in molecular aggregates          

Ala Aldin M. H. M. Darghouth, Gabriela Calinao Correa,Sacha Juillard, Mark E. Casida,
Alexander Humeniuk, and Roland Mitrić, J. Chem. Phys. 149, 134111 (2018)

Bond dissociation energies of carbonyl gold complexes: a new descriptor of ligand effects in gold(I) complexes 

 David Gatineau, Denis Lesage, HervéClavier,  Héloïse Dossmann, Chen H. Chan,Anne Milet, AntonyMemboeuf,  Richard B. Cole,
 Yves Gimbert DaltonTrans., 47, 15497(2018) 

Protonation's mechanism in metalloenzyme

R. David, H. Jamet, V. Nivière, Y. Moreau, A. Milet, J. Chem. Theory Comput., 13, 2987(2017).