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», in corso di stampa, Early view, pp. 1 - 6 [articolo]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 [articolo]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) [Contributo in Atti di convegno]
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) [Contributo in Atti di convegno]
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) [Contributo in Atti di convegno]
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) [Contributo in Atti di convegno]
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) [Contributo in Atti di convegno]
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 [articolo]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 [articolo]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) [atti di convegno-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) [atti di convegno-abstract]
Francesco Calcagno, Francesco Montorsi, Luca Rigamonti, Rita Mazzoni, Giovanni Li Manni, Ivan Rivalta, Predicting the exchange coupling constant in a diiron complex, in: The 11th OpenMolcas Developers' Workshop, 2023, pp. 43 - 43 (atti di: The 11th OpenMolcas Developers' Workshop, Bologna, 14 - 16 June 2023) [atti di convegno-abstract]
Rita Mazzoni, Alessandro Messori, Andrea Piazzi, Cristiana Cesari, Massimiliano Curcio, Anna Gagliardi, Ivan Rivalta, Francesco Calcagno, Tommaso Tabanelli, Fabrizio Cavani, RUTHENIUM BIFUNCTIONAL BASED CATALYTIC SYSTEMS TO TUNE EFFICENCY AND SELECTIVITY IN ALCOHOL HOMOLOGATION, in: 49° Congresso Nazionale di Chimica Inorganica, 2023, pp. 1 - 1 (atti di: 49° Congresso Nazionale di Chimica Inorganica, Sala dei Nodari, Perugia, 12 al 15 settembre 2023) [atti di convegno-abstract]
Francesco Calcagno, Cristiana Cesari, Alessandro Messori, Anna Gagliardi, Fahmi
Himo, Ivan Rivalta, Rita Mazzoni, SYNERGISTIC COMPUTATIONAL AND EXPERIMENTAL STUDY OF THE MECHANISM OF THE RU-CATALYSED GUERBET REACTION, in: XXII Giornata della Chimica dell’Emilia Romagna 2023 (GdC-ER 2023), 2023, pp. 89 - 89 (atti di: XXII Giornata della Chimica dell’Emilia Romagna 2023 (GdC-ER 2023), Parma, Italia, 18 dicembre 2023) [atti di convegno-abstract]
Francesco Calcagno, Alessandro Messori, Anna Gagliardi, Cristiana Cesari,
Fabrizio Cavani, Fahmi Himo, Ivan Rivalta, Rita Mazzoni, Unravelling the Mechanism of the Guerbet Reaction Catalyzed by a Ruthenium Catalyst: a Synergistic Computational and Experimental Study, in: XXV Conference on Organometallic Chemistry - EuCOMC XXV, 2023, pp. 163 - 163 (atti di: XXV Conference on Organometallic Chemistry - EuCOMC XXV, Alcalá de Henares (Madrid), Spain, 4 - 8 settembre 2023) [atti di convegno-abstract]
