Performance of DFT and MP2 Approaches for Geometry of Rhenium Allenylidenes Complexes and the Thermodynamics of Phosphines Addition. - Cecilia Coletti; Nazzareno Re (ICCSA (1), 2012)

Continuous and Discrete Algorithms in Quantum Chemistry: Polynomial Sets, Spin Networks and Sturmian Orbitals. - Danilo Calderini; Cecilia Coletti; Gaia Grossi; Vincenzo Aquilanti (ICCSA (2), 2013)

Combinatorial and Geometrical Origins of Regge Symmetries: Their Manifestations from Spin-Networks to Classical Mechanisms, and Beyond. - Vincenzo Aquilanti; Manuela S. Arruda; Cecilia Coletti; Robert G. Littlejohn; Robenilson F. Santos (ICCSA (5), 2017)

Influence of the Intermolecular Potential Energy on N _2 2 -N _2 2 Inelastic Collisions: A Quantum-Classical Study. - Simone Fioccola; Fernando Pirani; Massimiliano Bartolomei; Cecilia Coletti (ICCSA (5), 2017)

Hypergeometric Polynomials, Hyperharmonic Discrete and Continuous Expansions: Evaluations, Interconnections, Extensions. - Cecilia Coletti; Federico Palazzetti; Roger W. Anderson; Vincenzo Aquilanti (ICCSA (6), 2019)

Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach. - Roberto Paciotti; Mariangela Agamennone; Cecilia Coletti; Loriano Storchi (J. Comput. Aided Mol. Des., 2020)

Multilayered Modelling of the Metallation of Biological Targets. - Iogann Tolbatov; Alessandro Marrone; Roberto Paciotti; Nazzareno Re; Cecilia Coletti (ICCSA (10), 2021)

The FMO2 analysis of the ligand-receptor binding energy: the Biscarbene-Gold(I)/DNA G-Quadruplex case study. - Roberto Paciotti; Cecilia Coletti; Alessandro Marrone; Nazzareno Re (J. Comput. Aided Mol. Des., 2022)

Potential Energy Surfaces for Noble Gas (Ar, Kr, Xe, Rn)-Propylene Oxide Systems: Analytical Formulation and Binding. - Federico Palazzetti; Cecilia Coletti; Alessandro Marrone; Fernando Pirani (Symmetry, 2022)

Improving the accuracy of the FMO binding affinity prediction of ligand-receptor complexes containing metals. - Roberto Paciotti; Alessandro Marrone; Cecilia Coletti; Nazzareno Re (J. Comput. Aided Mol. Des., 2023)