Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states. - Alistar Ottochian; Carmela Morgillo; Ilaria Ciofini; Michael J. Frisch; Giovanni Scalmani; Carlo Adamo (J. Comput. Chem., 2020)

Cover Image. - Éric Brémond; Alistar Ottochian; Ángel J. Pérez-Jiménez; Ilaria Ciofini; Giovanni Scalmani; Michael J. Frisch; Juan Carlos Sancho-García; Carlo Adamo (J. Comput. Chem., 2021)

Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals. - Éric Brémond; Alistar Ottochian; Ángel J. Pérez-Jiménez; Ilaria Ciofini; Giovanni Scalmani; Michael J. Frisch; Juan Carlos Sancho-García; Carlo Adamo (J. Comput. Chem., 2021)

A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case study. - Bernardino Tirri; Gloria Mazzone; Alistar Ottochian; Jérôme Gomar; Umberto Raucci; Carlo Adamo; Ilaria Ciofini (J. Comput. Chem., 2021)