FERRETTI, ALESSANDRO
FERRETTI, ALESSANDRO
Istituto di Chimica dei Composti OrganoMetallici - ICCOM -
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a computational multi-level approach
2023 Prampolini, Giacomo; Campetella, Marco; Ferretti, Alessandro
Complexes of Alkaline and Ammonium Cations with Dopamine and Eumelanin Precursors: Dissecting the Role of Noncovalent Cation-pi and Cation-Lone Pair (sigma-Type) Interactions
2022 Ferretti, Alessandro; Prampolini, Giacomo
Noncovalent interactions in catechol/ammonium-rich adhesive motifs: Reassessing the role of cation-pi complexes?
2021 Ferretti, Alessandro; Prampolini, Giacomo; D'Ischia, Marco
Benchmarking Cation−π Interactions: Assessment of Density Functional Theory and Möller–Plesset Second-Order Perturbation Theory Calculations with Optimized Basis Sets (mp2mod) for Complexes of Benzene, Phenol, and Catechol with Na+, K+, Rb+, and Cs+
2020 Ferretti, A; D'Ischia, M; Prampolini, G
The phenoxyl group-modulated interplay of cation–π and σ-type interactions in the alkali metal series
2020 Prampolini, G; D'Ischia, M; Ferretti, A
The role of the multiconfigurational character of nitronyl-nitroxide in the singlet-triplet energy gap of its diradicals
2018 Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro
Eumelanin broadband absorption develops from aggregation-modulated chromophore interactions under structural and redox control
2017 Micillo R.; Panzella L.; Iacomino M.; Prampolini G.; Cacelli I.; Ferretti A.; Crescenzi O.; Koike K.; Napolitano A.; D'Ischia M.
Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates
2017 Barone V.; Cacelli I.; Ferretti A.; Prampolini G.
Noncovalent Interactions in the Catechol Dimer
2017 Barone, Vincenzo ; Cacelli, Ivo ; Ferretti, Alessandro; Prampolini, Giacomo
Quantitative prediction and interpretation of spin energy gaps in polyradicals: The virtual magnetic balance
2017 Barone, V; Cacelli, I; Ferretti, A; Prampolini, G
Predicting light absorption properties of anthocyanidins in solution: a multi-level computational approach
2016 Cacelli, Ivo; Ferretti, Alessandro; Prampolini, Giacomo
BALOO: A Fast and Versatile Code for Accurate Multireference Variational/Perturbative Calculations
2015 Cacelli, Ivo; Ferretti, Alessandro; Prampolini, Giacomo; Barone, Vincenzo
Intermolecular interactions in eumelanins: a computational bottom-up approach. I. small building blocks
2015 Prampolini, Giacomo; Cacelli, Ivo; Ferretti, Alessandro
Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine
2015 Ivo Cacelli; Alessandro Ferretti;Giacomo Prampolini
Electron Transport Properties of Diarylethene Photoswitches by a Simplified NEGF-DFT Approach
2014 Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro; Visciarelli, Michele
Proton and electron transfer mechanisms in the formation of neutral and charged quinhydrone-like complexes: A multilayered computational study
2014 Barone, Vincenzo A.; Cacelli, Ivo; Ferretti, Alessandro; Prampolini, Giacomo; Villani, Giovanni
Unraveling the interplay of different contributions to the stability of the quinhydrone dimer
2014 Barone, V; Cacelli, I; Crescenzi, O; D'Ischia, M; Ferretti, A; Prampolini, Giacomo; Villani, G
Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational Study
2013 Vincenzo Barone; Corentin Boilleau; Ivo Cacelli; Alessandro Ferretti; Giacomo Prampolini
Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study
2013 V. Barone ; C. Boilleau ; I. Cacelli ; A. Ferretti ; S. Monti ; G. Prampolini
Transport properties of binuclear metal complexes of the VIII group using a simplified NEGF-DFT approach
2013 V. Barone; I. Cacelli; A. Ferretti; M. Visciarelli