Journal of chemical theory and computation 17 (2021): 4449–4464. doi:10.1021/acs.jctc.1c00213 info:cnr-pdr/source/autori:Vilhena J.G.; Greff Da Silveira L.; Livotto P.R.; Cacelli I.; Prampolini G./titolo:Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation/doi:10.1021%2Facs.jctc.1c00213/rivista:Journal of chemical theory and computation/anno:2021/pagina_da:4449/pagina_a:4464/intervallo_pagine:4449–4464/volume:17
PCCP. Physical chemistry chemical physics 20 (2018): 18547–18555. doi:10.1039/C8CP02165A info:cnr-pdr/source/autori:Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro/titolo:The role of the multiconfigurational character of nitronyl-nitroxide in the singlet-triplet energy gap of its diradicals/doi:10.1039%2FC8CP02165A/rivista:PCCP. Physical chemistry chemical physics (Print)/anno:2018/pagina_da:18547/pagina_a:18555/intervallo_pagine:18547–18555/volume:20
Journal of chemical theory and computation 12 (2016): 5525–5540. doi:10.1021/acs.jctc.6b00705 info:cnr-pdr/source/autori:Prampolini G.; Campetella M.; De Mitri N.; Livotto P.R.; Cacelli I./titolo:Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated Hydrocarbons/doi:10.1021%2Facs.jctc.6b00705/rivista:Journal of chemical theory and computation/anno:2016/pagina_da:5525/pagina_a:5540/intervallo_pagine:5525–5540/volume:12
The Journal of chemical physics 150 (2019). doi:10.1063/1.5094288 info:cnr-pdr/source/autori:Cacelli, Ivo; Lipparini, Filippo; Greff Da Silveira, Leandro; Jacobs, Matheus; Livotto, Paolo Roberto; Prampolini, Giacomo/titolo:Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2mod): Development and application to aromatic heterocycles/doi:10.1063%2F1.5094288/rivista:The Journal of chemical physics/anno:2019/pagina_da:/pagina_a:/intervallo_pagine:/volume:150