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
Lenzi, Chiara; Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita, Efficient Ruthenium-Catalyzed Guerbet Reaction for Bioethanol Upgrading to Higher Alcohols, in: -, 2025, pp. - - - (atti di: Merck Young Chemists’ Symposium (MYCS) 2025, Rimini, 1-3 Dicembre 2025) [Contribution to conference proceedings]
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
Lenzi, Chiara; Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Cesari, Cristiana; Mazzoni, Rita, MICROWAVE- ENHANCED RUTHENIUM-CATALYSED GUERBET REACTION FOR RAPID BIOETHANOL VALORIZATION, in: -, 2025, pp. - - - (atti di: XXIV Giornata della Chimica dell’Emilia Romagna 2024 (XXIV GdC-ER 2025), Ferrara, 18 Dicembre 2025) [Contribution to conference proceedings]
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
Messori A.; Gagliardi A.; Cesari C.; Calcagno F.; Tabanelli T.; Cavani F.; Mazzoni R., Advances in the homogeneous catalyzed alcohols homologation: The mild side of the Guerbet reaction. A mini-review, «CATALYSIS TODAY», 2023, 423, Article number: 114003 , pp. 1 - 18 [Scientific article]Open Access
Andrea Piazzi, Francesco Calcagno, Ivan Rivalta, Alessandro Messori, Anna Gagliardi, Cristiana Cesari, Tommaso Tabanelli, Rita Mazzoni, Fabrizio Cavani, Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes, in: Book of Abstracts EuChemS Salerno, 2023, pp. 168 - 168 (atti di: 6th EuChemS Congress on Green and Sustainable Chemistry, Salerno, 3-6/09/2023) [Abstract]
Andrea Piazzi, Francesco Calcagno, Ivan Rivalta, Alessandro Messori, Anna Gagliardi, Cristiana Cesari, Tommaso Tabanelli, Rita Mazzoni, Fabrizio Cavani, Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes, in: Proceedings of ISOC2023, 2023, pp. 93 - 93 (atti di: International School of Organometallic Chemistry, Camerino (MC), 7-11/09/2023) [Abstract]
