Ruolo editoriale nella rivista «ACS Sustainable Chemistry & Engineering»
Liuzzi, Francesca; Scurti, Stefano; Fanciullo, Giacomo; Allegri, Alessandro; Hu, Min; Rivalta, Ivan; D'Agostino, Carmine; Bansode, Atul; Caretti, Daniele; Dimitratos, Nikolaos; Albonetti, Stefania, Electronic properties of PVA‑PVAm ligands dictate mechanistic pathways in Au/AC‑catalyzed HMF oxidation, «JOURNAL OF CATALYSIS», 2026, 456, pp. 1 - 12 [Scientific article]
Sorrentino, S.; Gussoni, A.; Calcagno, F.; Pasotti, G.; Avagliano, D.; Rivalta, I.; Garavelli, M.; Polli, D., Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations, «DIGITAL DISCOVERY», 2026, 5, pp. 161 - 176 [Scientific article]Open Access
Loprete, F.; Tosi Brandi, E.; Calcagno, F.; De Maron, J.; Fasolini, A.; Tarroni, R.; Basile, F.; Rivalta, I., Advancing CO2 Conversion with Cu-LDHs: A Review of Computational and Experimental Studies, «THE CHEMICAL RECORD», 2025, 25, Article number: e202500014 , pp. 1 - 35 [Scientific article]Open Access
Sekhar Biswas, Deep; Fanciullo, Giacomo; Boglio, Benjamin; Bordoni, Silvia; Rivalta, Ivan; Klymchenko, Andrey S.; Didier, Pascal, Deciphering the Blinking Mechanisms of Dye-Loaded Organic Nanoparticles, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2025, 16, pp. 11946 - 11954 [Scientific article]
Aleotti, Flavia; Soprani, Lorenzo; Rodríguez-Almeida, Lucas F.; Calcagno, Francesco; Loprete, Fabio; Rivalta, Ivan; Orlandi, Silvia; Canè, Elisabetta; Garavelli, Marco; Conti, Irene; Muccioli, Luca, Is DFT enough? Towards Accurate High-Throughput Computational Screening of Azobenzenes for Molecular Solar Thermal Applications, «MOLECULAR SYSTEMS DESIGN & ENGINEERING», 2025, 10, pp. 13 - 18 [Scientific article]Open Access
Gheeraert, Aria; Leroux, Vincent; Mias-Lucquin, Dominique; Karami, Yasaman; Vuillon, Laurent; Chauvot De Beauchêne, Isaure; Devignes, Marie-Dominique; Rivalta, Ivan; Maigret, Bernard; Chaloin, Laurent, Subtle Changes at the RBD/hACE2 Interface During SARS-CoV-2 Variant Evolution: A Molecular Dynamics Study, «BIOMOLECULES», 2025, 15, Article number: 541 , pp. 1 - 29 [Scientific article]Open Access
Calcagno, Francesco; Cesari, Cristiana; Gagliardi, Anna; Messori, Alessandro; Piazzi, Andrea; Tamassia, Filippo; Garavelli, Marco; Himo, Fahmi; Mazzoni, Rita; Rivalta, Ivan, Combined computational-experimental study of Ru(0)-catalyzed Guerbet reaction, «CELL REPORTS PHYSICAL SCIENCE», 2024, 5, pp. 1 - 23 [Scientific article]Open Access
Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Zingaretti, Alessandro; Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita, Efficient ruthenium-catalyzed Guerbet reaction for the upgrading of Bioethanol to Higher Alcohols: a sustainable approach to biofuel production, in: 9th EuChemS 2024, 2024, pp. O3-423 - O3-423 (atti di: 9th EuChemS 2024, Dublino, 7-11 Luglio 2024) [Contribution to conference proceedings]
Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Zingaretti, Alessandro; Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita, Efficient ruthenium-catalyzed Guerbet reaction for the upgrading of Bioethanol to Higher Alcohols: a sustainable approach to biofuel production, in: XX PhD-Chem Day, 2024, pp. 34 - 34 (atti di: XX PhD-Chem Day, Pisa, 18-19 Aprile 2024) [Contribution to conference proceedings]
Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Mazzoni, Rita; Cavani, Fabrizio, Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes, in: C3-Day 2024, 2024, pp. 76 - 76 (atti di: C3-Day 2024, Bologna, 04/06/2024) [Contribution to conference proceedings]
Eleonora Rossi, Alessandro Messori, Andrea Piazzi, Nicolò Santarelli, Giulia Martelli, Massimiliano Curcio, Francesco Calcagno, Ivan Rivalta, Fabrizio Passarini, Daniele Cespi, Rita Mazzoni, Homogeneous Green Conversion of the Bio-Based Platform HMF (5-Hydroxymethylfurfural) into BHMF (2,5-Bis(hydroxymethyl)furan): Synthesis and LCA (Life Cycle Assessment), in: Abstract Book SETAC Europe 34 th Annual Meeting, 2024, pp. 863 - 864 (atti di: SETAC Europe 34 th Annual Meeting, Seville, 09/05/2024) [Contribution to conference proceedings]
Lenzi, Chiara; Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Mazzoni, Rita; Cavani, Fabrizio, INTEGRATED EXPERIMENTAL AND THEORETICAL ANALYSIS OF THE HOMOGENEOUSLY CATALYZED GUERBET REACTION WITH RUTHENIUM-NHC COMPLEXES, in: -, 2024, pp. 052 - 052 (atti di: XXIII Giornata della Chimica dell’Emilia Romagna 2024 (XXIII GdC-ER 2024), Università degli Studi di Modena e Reggio Emilia Dipartimenti di Scienze Chimiche e Geologiche e Scienze della Vita presso Auditorium Fondazione Marco Biagi, largo Marco Biagi 41121 Modena, 19 Dicembre 2024) [Contribution to conference proceedings]
Calcagno, Francesco; Maryasin, Boris; Garavelli, Marco; Avagliano, Davide; Rivalta, Ivan, Modeling solvent effects and convergence of 31P‐NMR shielding calculations with COBRAMM, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2024, 45, pp. 1562 - 1575 [Scientific article]Open Access
Fanciullo, Giacomo; Adamo, Carlo; Rivalta, Ivan; Ciofini, Ilaria, Optimal-tuning of range-separated density functionals to describe the optical and photophysical properties of rhodamine B dimers, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2024, 26, pp. 23920 - 23933 [Scientific article]Open Access
