An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions. - Umberto Raucci; Maria Gabriella Chiariello; Federico Coppola; Fulvio Perrella; Marika Savarese; Ilaria Ciofini; Nadia Rega (J. Comput. Chem., 2020)

Cover Image, Volume 41, Issue 26. - Umberto Raucci; Fulvio Perrella; Greta Donati; Maria Zoppi; Alessio Petrone; Nadia Rega (J. Comput. Chem., 2020)

Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study. - Umberto Raucci; Fulvio Perrella; Greta Donati; Maria Zoppi; Alessio Petrone; Nadia Rega (J. Comput. Chem., 2020)