Ruolo editoriale nella rivista «ACS Sustainable Chemistry & Engineering»
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 [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
Malakar, P.; Gholami, S.; Aarabi, M.; Rivalta, I.; Sheves, M.; Garavelli, M.; Ruhman, S., Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct, «NATURE COMMUNICATIONS», 2024, 15, Article number: 2136 , pp. 1 - 14 [Scientific article]Open Access
Cuellar-Zuquin, J.; Pepino, A. J.; Fde, z. Galvan I.; Rivalta, I.; Aquilante, F.; Garavelli, M.; Lindh, R.; Segarra-Marti, J., Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2023, 19, pp. 8258 - 8272 [Scientific article]Open Access
Fanciullo G.; Orlandi S.; Klymchenko A.S.; Muccioli L.; Rivalta I., Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations, «MOLECULES», 2023, 28, Article number: 4742 , pp. 1 - 13 [Scientific article]Open Access
Gheeraert A.; Lesieur C.; Batista V.S.; Vuillon L.; Rivalta I., Connected Component Analysis of Dynamical Perturbation Contact Networks, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2023, 127, pp. 7571 - 7580 [Scientific article]Open Access
Francesca Liuzzi, Alessia Ventimiglia, Alessandro Allegri , Elena Rodríguez-Aguado,
Juan Antonio Cecilia, Ivan Rivalta , Nikolaos Dimitratos,Stefania Albonetti, Effect of Capping Ligands for the Synthesis of Gold Nanoparticles and on the Catalytic Performance for the Oxidation of 5-Hydroxymethyl-2-furfural, «CATALYSTS», 2023, 13, Article number: 990 , pp. 1 - 17 [Scientific article]Open Access
