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]
Monti E.; Ventimiglia A.; Forster L.; Rodriguez-Aguado E.; Cecilia J.A.; Ospitali F.; Tabanelli T.; Albonetti S.; Cavani F.; Rivalta I.; D'Agostino C.; Dimitratos N., Influence of stabilisers on the catalytic activity of supported Au colloidal nanoparticles for the liquid phase oxidation of glucose to glucaric acid: understanding the catalyst performance from NMR relaxation and computational studies, «GREEN CHEMISTRY», 2023, 25, pp. 2640 - 2652 [Scientific article]Open Access
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) [Abstract]
Aarabi M.; Aranda D.; Gholami S.; Meena S.K.; Lerouge F.; Bretonniere Y.; Gurol I.; Baldeck P.; Parola S.; Dumoulin F.; Cerezo J.; Garavelli M.; Santoro F.; Rivalta I., Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2023, 19, pp. 5938 - 5957 [Scientific article]Open Access
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) [Abstract]
Bacchiocchi R.; Ventimiglia A.; Canciani A.; Peroni G.; Tabanelli T.; Albonetti S.; Dimitratos N.; Rivalta I.; Zainal S.; Forster L.; D'Agostino C.; Cavani F., Structure-activity relationships of ZrO2 crystalline phases in the catalytic transfer hydrogenation of methyl levulinate with ethanol, «JOURNAL OF CATALYSIS», 2023, 428, Article number: 115177 , pp. 1 - 14 [Scientific article]Open Access
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) [Abstract]
Miron, G. D.; Semelak, J. A.; Grisanti, L.; Rodriguez, A.; Conti, I.; Stella, M.; Velusamy, J.; Seriani, N.; Doslic, N.; Rivalta, I.; Garavelli, M.; Estrin, D. A.; Kaminski Schierle, G. S.; Gonzalez Lebrero, M. C.; Hassanali, A.; Morzan, U. N., The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter, «NATURE COMMUNICATIONS», 2023, 14, Article number: 7325 , pp. 1 - 13 [Scientific article]Open Access
Li Manni, G.; Fde, z. Galvan I.; Alavi, A.; Aleotti, F.; Aquilante, F.; Autschbach, J.; Avagliano, D.; Baiardi, A.; Bao, J. J.; Battaglia, S.; Birnoschi, L.; Blanco-Gonzalez, A.; Bokarev, S. I.; Broer, R.; Cacciari, R.; Calio, P. B.; Carlson, R. K.; Carvalho Couto, R.; Cerdan, L.; Chibotaru, L. F.; Chilton, N. F.; Church, J. R.; Conti, I.; Coriani, S.; Cuellar-Zuquin, J.; Daoud, R. E.; Dattani, N.; Decleva, P.; de Graaf, C.; Delcey, M. G.; De Vico, L.; Dobrautz, W.; Dong, S. S.; Feng, R.; Ferre, N.; Filatov, M.; Gagliardi, L.; Garavelli, M.; Gonzalez, L.; Guan, Y.; Guo, M.; Hennefarth, M. R.; Hermes, M. R.; Hoyer, C. E.; Huix-Rotllant, M.; Jaiswal, V. K.; Kaiser, A.; Kaliakin, D. S.; Khamesian, M.; King, D. S.; Kochetov, V.; Krosnicki, M.; Kumaar, A. A.; Larsson, E. D.; Lehtola, S.; Lepetit, M. -B.; Lischka, H.; Lopez Rios, P.; Lundberg, M.; Ma, D.; Mai, S.; Marquetand, P.; Merritt, I. C. D.; Montorsi, F.; Morchen, M.; Nenov, A.; Nguyen, V. H. A.; Nishimoto, Y.; Oakley, M. S.; Olivucc, The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2023, 19, pp. 6933 - 6991 [Scientific article]Open Access
Maschietto F.; Morzan U.N.; Tofoleanu F.; Gheeraert A.; Chaudhuri A.; Kyro G.W.; Nekrasov P.; Brooks B.; Loria J.P.; Rivalta I.; Batista V.S., Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase, «NATURE COMMUNICATIONS», 2023, 14, Article number: 2239 , pp. 1 - 13 [Scientific article]Open Access
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) [Abstract]
Cesari, Cristiana; Gagliardi, Anna; Messori, Alessandro; Monti, Nicola; Zanotti, Valerio; Zacchini, Stefano; Rivalta, Ivan; Calcagno, Francesco; Lucarelli, Carlo; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita, Boosting the guerbet reaction: A cooperative catalytic system for the efficient bio-ethanol refinery to second-generation biofuels, «JOURNAL OF CATALYSIS», 2022, 405, pp. 47 - 59 [Scientific article]Open Access
Anna GAGLIARDI, Cristiana CESARI, Alessandro MESSORI, Nicola MONTI, Carlo LUCARELLI, Tommaso TABANELLI, Valerio ZANOTTI, Francesco CALCAGNO, Ivan RIVALTA, Fabrizio CAVANI, Rita MAZZONI, BOOSTING THE GUERBET REACTION: A COOPERATIVE HOMOGENEOUS CATALYTIC SYSTEM FOR BIOETHANOL REFINERY TO SECOND-GENERATION BIOFUELS, in: ICCC 2022 — 45th International Conference on Coordination Chemistry, 2022, pp. 407 - 407 (atti di: ICCC 2022 — 45th International Conference on Coordination Chemistry,, Rimini, IT, 28/08/2022-02/09/2022) [Abstract]
Alessandro Messori, Cristiana Cesari, Anna Gagliardi, Nicola Monti , Valerio Zanotti, Stefano Zacchini, Ivan Rivalta, Francesco Calcagno, Carlo Lucarelli, Tommaso Tabanelli, Fabrizio Cavani, Rita Mazzoni, Boosting the Guerbet reaction: a cooperative homogeneous catalytic system for bioethanol refinery to second-generation biofuels, in: International Green Catalysis Symposium & Advanced School - GreenCat 2022, 2022, pp. P30 - P30 (atti di: International Green Catalysis Symposium & Advanced School - GreenCat 2022, Rennes, 19-22/04/2022) [Abstract]
