Marforio, Tainah Dorina; Bottoni, Andrea; Giacinto, Pietro; Zerbetto, Francesco; Calvaresi, Matteo, Aromatic Bromination of N-Phenylacetamide Inside CNTs. Are CNTs Real Nanoreactors Controlling Regioselectivity and Kinetics? A QM/MM Investigation, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2017, 121, pp. 27674 - 27682 [Scientific article]
Trozzi, Francesco; Marforio, Tainah Dorina; Bottoni, Andrea; Zerbetto, Francesco; Calvaresi, Matteo, Engineering the Fullerene-protein Interface by Computational Design: The Sum is More than its Parts, «ISRAEL JOURNAL OF CHEMISTRY», 2017, 57, pp. 547 - 552 [Scientific article]Open Access
Marforio, Tainah Dorina; Bottoni, Andrea; Calvaresi, Matteo; Fabbri, Daniele; Giacinto, Pietro; Zerbetto, Francesco, The Reaction Pathway of Cellulose Pyrolysis to a Multifunctional Chiral Building Block: The Role of Water Unveiled by a DFT Computational Investigation, «CHEMPHYSCHEM», 2016, 17, pp. 3948 - 3953 [Scientific article]
Marforio, T.D.; Giacinto, P.; Bottoni, A.; Calvaresi, M., Computational Evidence for the Catalytic Mechanism of Tyrosylprotein Sulfotransferases: A Density Functional Theory Investigation, «BIOCHEMISTRY», 2015, 54, pp. 4404 - 4410 [Scientific article]
