Marforio, Tainah Dorina; Tomasini, Michele; Bottoni, Andrea; Zerbetto, Francesco; Mattioli, Edoardo Jun; Calvaresi, Matteo, Deciphering the Reactive Pathways of Competitive Reactions inside Carbon Nanotubes, «NANOMATERIALS», 2023, 13, Article number: 8, pp. 1 - 12 [articolo]Open Access
Bernardo Ballotta; Tainah D. Marforio; Sergio Rampino; Emilio Martínez-Núñez; Vincenzo Barone; Mattia Melosso; Andrea Bottoni; Luca Dore, Toward the Detection of Cyanoketene in the Interstellar Medium: New Hints from Quantum Chemistry and Rotational Spectroscopy, «ACS EARTH AND SPACE CHEMISTRY», 2023, 7, pp. 1172 - 1180 [articolo]Open Access
Edoardo Jun Mattioli; Matteo Calvaresi; Andrea Bottoni; Tainah Dorina Marforio, Hajos-Parrish-Eder-Sauer-Wiechert reaction: The definitive reaction mechanism deciphered by DFT calculations, «MOLECULAR CATALYSIS», 2022, 522, pp. 112245 - 112245 [articolo]
Andrea Bottoni, Matteo Calvaresi, Tainah Dorina Marforio, Edoardo Jun Mattioli, Binding and recognition mechanisms of the human tyrosylprotein sulfotransferase isoform-2 (TPST-2) towards its natural ligands. A computational investigation., in: LUIGI BOLONDI FELICITATIONS VOLUME Studies in Medicine and Its History Studi medici e di storia della medicina in onore di Luigi Bolondi, (Milano – Udine), MIMESIS, 2021, pp. 145 - 158 [capitolo di libro]
Lorenzo Lombardi, Daniele Bellini, Andrea Bottoni, Matteo Calvaresi, Magda Monari, Alessandro Kovtun, Vincenzo Palermo, Manuela Melucci, Marco Bandini, Allylic and Allenylic Dearomatization of Indoles promoted by Graphene Oxide via Covalent Grafting Activation Mode, «CHEMISTRY-A EUROPEAN JOURNAL», 2020, 26, pp. 10427 - 10432 [articolo]Open Access
Acocella A.; Marforio T.D.; Calvaresi M.; Bottoni A.; Zerbetto F., Electron Dynamics with Explicit-Time Density Functional Theory of the [4+2] Diels-Alder Reaction, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2020, 16, pp. 2172 - 2180 [articolo]Open Access
Bottoni A.; Calvaresi M.; Marforio T.D.; Miscione G.P., A Mechanistic Insight into the Cu(II)-Catalyzed C–N and C–O Coupling Reaction of Arylglyoxylic Acids with Isatins; A DFT Investigation, «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2019, 2019, pp. 6776 - 6782 [articolo]
Marforio T.D.; Bottoni A.; Zerbetto F.; Calvaresi M., CNT-Catalyzed Oxidative Dehydrogenation of Ethylbenzene to Styrene: DFT Calculations Disclose the Pathways, «CHEMNANOMAT», 2019, 5, pp. 499 - 505 [articolo]
Mattioli E.J.; Bottoni A.; Calvaresi M., DNAzymes at Work: A DFT Computational Investigation on the Mechanism of 9DB1, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2019, 59, pp. 1547 - 1553 [articolo]
Di Giosia M.; Valle F.; Cantelli A.; Bottoni A.; Zerbetto F.; Fasoli E.; Calvaresi M., Identification and preparation of stable water dispersions of protein - Carbon nanotube hybrids and efficient design of new functional materials, «CARBON», 2019, 147, pp. 70 - 82 [articolo]Open Access
Mattioli E.J.; Bottoni A.; Zerbetto F.; Calvaresi M., Oriented External Electric Fields Affect Rate and Stereoselectivity of Electrocyclic Reactions, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2019, 123, pp. 26370 - 26378 [articolo]
Di Giosia M.; Nicolini F.; Ferrazzano L.; Solda A.; Valle F.; Cantelli A.; Marforio T.D.; Bottoni A.; Zerbetto F.; Montalti M.; Rapino S.; Tolomelli A.; Calvaresi M., Stable and Biocompatible Monodispersion of C 60 in Water by Peptides, «BIOCONJUGATE CHEMISTRY», 2019, 30, pp. 808 - 814 [articolo]
Capozzi, Maria Annunziata M.; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo, A dichotomy in the enantioselective oxidation of aryl benzyl sulfides: A combined experimental and computational work, «TETRAHEDRON», 2018, 74, pp. 2041 - 2047 [articolo]
Lara Campesato, Tainah Dorina Marforio, Pietro Giacinto, Matteo Calvaresi, Andrea Bottoni, A Full QM Computational Study of the Catalytic Mechanism of α-1,4-Glucan Lyases, «CHEMPHYSCHEM», 2018, 19, pp. 1514 - 1521 [articolo]
Fermani, Simona*; Calvaresi, Matteo; Mangini, Vincenzo; Falini, Giuseppe; Bottoni, Andrea; Natile, Giovanni; Arnesano, Fabio, Aggregation Pathways of Native-Like Ubiquitin Promoted by Single-Point Mutation, Metal Ion Concentration, and Dielectric Constant of the Medium, «CHEMISTRY-A EUROPEAN JOURNAL», 2018, 24, pp. 4140 - 4148 [articolo]
