A comprehensive DFT investigation of bulk and low-index surfaces of ZrO2 polymorphs. - Chiara Ricca; Armelle Ringuedé; Michel Cassir; Carlo Adamo; Frédéric Labat (J. Comput. Chem., 2015)

B, N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations. - Chiara Ricca; Frédéric Labat; Claudia Zavala; Nino Russo; Carlo Adamo; Gabriel Merino; Emilia Sicilia (J. Comput. Chem., 2018)