RIVALTA, IVAN
RIVALTA, IVAN
CHIMIND - DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"
Docenti di ruolo di IIa fascia
ACS Sustainable Chemistry & Engineering
In corso di stampa Ivan Rivalta
Electronic properties of PVA‑PVAm ligands dictate mechanistic pathways in Au/AC‑catalyzed HMF oxidation
2026 Liuzzi, Francesca; Scurti, Stefano; Fanciullo, Giacomo; Allegri, Alessandro; Hu, Min; Rivalta, Ivan; D'Agostino, Carmine; Bansode, Atul; Caretti, Daniele; Dimitratos, Nikolaos; Albonetti, Stefania
Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations
2026 Sorrentino, S.; Gussoni, A.; Calcagno, F.; Pasotti, G.; Avagliano, D.; Rivalta, I.; Garavelli, M.; Polli, D.
Advancing CO2 Conversion with Cu-LDHs: A Review of Computational and Experimental Studies
2025 Loprete, F.; Tosi Brandi, E.; Calcagno, F.; De Maron, J.; Fasolini, A.; Tarroni, R.; Basile, F.; Rivalta, I.
Deciphering the Blinking Mechanisms of Dye-Loaded Organic Nanoparticles
2025 Sekhar Biswas, Deep; Fanciullo, Giacomo; Boglio, Benjamin; Bordoni, Silvia; Rivalta, Ivan; Klymchenko, Andrey S.; Didier, Pascal
Efficient Ruthenium-Catalyzed Guerbet Reaction for Bioethanol Upgrading to Higher Alcohols
2025 Lenzi, Chiara; Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita
Is DFT enough? Towards Accurate High-Throughput Computational Screening of Azobenzenes for Molecular Solar Thermal Applications
2025 Aleotti, Flavia; Soprani, Lorenzo; Rodríguez-Almeida, Lucas F.; Calcagno, Francesco; Loprete, Fabio; Rivalta, Ivan; Orlandi, Silvia; Canè, Elisabetta; Garavelli, Marco; Conti, Irene; Muccioli, Luca
MICROWAVE- ENHANCED RUTHENIUM-CATALYSED GUERBET REACTION FOR RAPID BIOETHANOL VALORIZATION
2025 Lenzi, Chiara; Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Cesari, Cristiana; Mazzoni, Rita
Subtle Changes at the RBD/hACE2 Interface During SARS-CoV-2 Variant Evolution: A Molecular Dynamics Study
2025 Gheeraert, Aria; Leroux, Vincent; Mias-Lucquin, Dominique; Karami, Yasaman; Vuillon, Laurent; Chauvot De Beauchêne, Isaure; Devignes, Marie-Dominique; Rivalta, Ivan; Maigret, Bernard; Chaloin, Laurent
Combined computational-experimental study of Ru(0)-catalyzed Guerbet reaction
2024 Calcagno, Francesco; Cesari, Cristiana; Gagliardi, Anna; Messori, Alessandro; Piazzi, Andrea; Tamassia, Filippo; Garavelli, Marco; Himo, Fahmi; Mazzoni, Rita; Rivalta, Ivan
Efficient ruthenium-catalyzed Guerbet reaction for the upgrading of Bioethanol to Higher Alcohols: a sustainable approach to biofuel production
2024 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
2024 Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Zingaretti, Alessandro; Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita
Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes
2024 Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Mazzoni, Rita; Cavani, Fabrizio
Homogeneous Green Conversion of the Bio-Based Platform HMF (5-Hydroxymethylfurfural) into BHMF (2,5-Bis(hydroxymethyl)furan): Synthesis and LCA (Life Cycle Assessment)
2024 Eleonora Rossi, Alessandro Messori, Andrea Piazzi, Nicolò Santarelli, Giulia Martelli, Massimiliano Curcio, Francesco Calcagno, Ivan Rivalta, Fabrizio Passarini, Daniele Cespi, Rita Mazzoni
INTEGRATED EXPERIMENTAL AND THEORETICAL ANALYSIS OF THE HOMOGENEOUSLY CATALYZED GUERBET REACTION WITH RUTHENIUM-NHC COMPLEXES
2024 Lenzi, Chiara; Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Mazzoni, Rita; Cavani, Fabrizio
Modeling solvent effects and convergence of 31P‐NMR shielding calculations with COBRAMM
2024 Calcagno, Francesco; Maryasin, Boris; Garavelli, Marco; Avagliano, Davide; Rivalta, Ivan
Optimal-tuning of range-separated density functionals to describe the optical and photophysical properties of rhodamine B dimers
2024 Fanciullo, Giacomo; Adamo, Carlo; Rivalta, Ivan; Ciofini, Ilaria
Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct
2024 Malakar, P.; Gholami, S.; Aarabi, M.; Rivalta, I.; Sheves, M.; Garavelli, M.; Ruhman, S.
Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size
2023 Cuellar-Zuquin, J.; Pepino, A. J.; Fde, z. Galvan I.; Rivalta, I.; Aquilante, F.; Garavelli, M.; Lindh, R.; Segarra-Marti, J.
Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations
2023 Fanciullo G.; Orlandi S.; Klymchenko A.S.; Muccioli L.; Rivalta I.
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| ACS Sustainable Chemistry & Engineering | Ivan Rivalta | 9999-01-01 | ACS SUSTAINABLE CHEMISTRY & ENGINEERING | - | 8.01 Ruolo editoriale in rivista | - |
| Electronic properties of PVA‑PVAm ligands dictate mechanistic pathways in Au/AC‑catalyzed HMF oxidation | Liuzzi, Francesca; Scurti, Stefano; Fanciullo, Giacomo; Allegri, Alessandro; Hu, Min; Rivalta, Iv...an; D'Agostino, Carmine; Bansode, Atul; Caretti, Daniele; Dimitratos, Nikolaos; Albonetti, Stefania | 2026-01-01 | JOURNAL OF CATALYSIS | - | 1.01 Articolo in rivista | Liuzzi et al., 2026.pdf; 1-s2.0-S0021951726001041-mmc1.docx |
| Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations | Sorrentino, S.; Gussoni, A.; Calcagno, F.; Pasotti, G.; Avagliano, D.; Rivalta, I.; Garavelli, M....; Polli, D. | 2026-01-01 | DIGITAL DISCOVERY | - | 1.01 Articolo in rivista | d5dd00210a.pdf; d5dd00210a1.pdf |
| Advancing CO2 Conversion with Cu-LDHs: A Review of Computational and Experimental Studies | Loprete, F.; Tosi Brandi, E.; Calcagno, F.; De Maron, J.; Fasolini, A.; Tarroni, R.; Basile, F.; ...Rivalta, I. | 2025-01-01 | THE CHEMICAL RECORD | - | 1.01 Articolo in rivista | The Chemical Record - 2025 - Loprete - Advancing CO2 Conversion with Cu‐LDHs A Review of Computational and Experimental (1).pdf |
| Deciphering the Blinking Mechanisms of Dye-Loaded Organic Nanoparticles | Sekhar Biswas, Deep; Fanciullo, Giacomo; Boglio, Benjamin; Bordoni, Silvia; Rivalta, Ivan; Klymch...enko, Andrey S.; Didier, Pascal | 2025-01-01 | THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - | 1.01 Articolo in rivista | - |
| Efficient Ruthenium-Catalyzed Guerbet Reaction for Bioethanol Upgrading to Higher Alcohols | Lenzi, Chiara; Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Gagliardi..., Anna; Cesari, Cristiana; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita | 2025-01-01 | - | - | 4.01 Contributo in Atti di convegno | - |
| Is DFT enough? Towards Accurate High-Throughput Computational Screening of Azobenzenes for Molecular Solar Thermal Applications | Aleotti, Flavia; Soprani, Lorenzo; Rodríguez-Almeida, Lucas F.; Calcagno, Francesco; Loprete, Fab...io; Rivalta, Ivan; Orlandi, Silvia; Canè, Elisabetta; Garavelli, Marco; Conti, Irene; Muccioli, Luca | 2025-01-01 | MOLECULAR SYSTEMS DESIGN & ENGINEERING | - | 1.01 Articolo in rivista | SI_AZO_MOST.pdf; d4me00183d.pdf |
| MICROWAVE- ENHANCED RUTHENIUM-CATALYSED GUERBET REACTION FOR RAPID BIOETHANOL VALORIZATION | Lenzi, Chiara; Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Cesari, C...ristiana; Mazzoni, Rita | 2025-01-01 | - | - | 4.01 Contributo in Atti di convegno | - |
| Subtle Changes at the RBD/hACE2 Interface During SARS-CoV-2 Variant Evolution: A Molecular Dynamics Study | Gheeraert, Aria; Leroux, Vincent; Mias-Lucquin, Dominique; Karami, Yasaman; Vuillon, Laurent; Cha...uvot De Beauchêne, Isaure; Devignes, Marie-Dominique; Rivalta, Ivan; Maigret, Bernard; Chaloin, Laurent | 2025-01-01 | BIOMOLECULES | - | 1.01 Articolo in rivista | biomolecules-15-00541-v2.pdf; biomolecules-3515097-supplementary.pdf |
| Combined computational-experimental study of Ru(0)-catalyzed Guerbet reaction | Calcagno, Francesco; Cesari, Cristiana; Gagliardi, Anna; Messori, Alessandro; Piazzi, Andrea; Tam...assia, Filippo; Garavelli, Marco; Himo, Fahmi; Mazzoni, Rita; Rivalta, Ivan | 2024-01-01 | CELL REPORTS PHYSICAL SCIENCE | - | 1.01 Articolo in rivista | PIIS2666386424006052.pdf; mmc1 (1).pdf; mmc2 (1).pdf |
| Efficient ruthenium-catalyzed Guerbet reaction for the upgrading of Bioethanol to Higher Alcohols: a sustainable approach to biofuel production | Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Zingaretti, Alessandro; ...Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita | 2024-01-01 | - | - | 4.01 Contributo in Atti di convegno | - |
| Efficient ruthenium-catalyzed Guerbet reaction for the upgrading of Bioethanol to Higher Alcohols: a sustainable approach to biofuel production | Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Zingaretti, Alessandro; ...Gagliardi, Anna; Cesari, Cristiana; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita | 2024-01-01 | - | - | 4.01 Contributo in Atti di convegno | - |
| Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes | Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Gagliardi, Anna; Cesari,... Cristiana; Tabanelli, Tommaso; Mazzoni, Rita; Cavani, Fabrizio | 2024-01-01 | - | - | 4.01 Contributo in Atti di convegno | - |
| Homogeneous Green Conversion of the Bio-Based Platform HMF (5-Hydroxymethylfurfural) into BHMF (2,5-Bis(hydroxymethyl)furan): Synthesis and LCA (Life Cycle Assessment) | Eleonora Rossi, Alessandro Messori, Andrea Piazzi, Nicolò Santarelli, Giulia Martelli, Massimilia...no Curcio, Francesco Calcagno, Ivan Rivalta, Fabrizio Passarini, Daniele Cespi, Rita Mazzoni | 2024-01-01 | - | - | 4.01 Contributo in Atti di convegno | - |
| INTEGRATED EXPERIMENTAL AND THEORETICAL ANALYSIS OF THE HOMOGENEOUSLY CATALYZED GUERBET REACTION WITH RUTHENIUM-NHC COMPLEXES | Lenzi, Chiara; Piazzi, Andrea; Calcagno, Francesco; Rivalta, Ivan; Messori, Alessandro; Gagliardi..., Anna; Cesari, Cristiana; Tabanelli, Tommaso; Mazzoni, Rita; Cavani, Fabrizio | 2024-01-01 | - | - | 4.01 Contributo in Atti di convegno | - |
| Modeling solvent effects and convergence of 31P‐NMR shielding calculations with COBRAMM | Calcagno, Francesco; Maryasin, Boris; Garavelli, Marco; Avagliano, Davide; Rivalta, Ivan | 2024-01-01 | JOURNAL OF COMPUTATIONAL CHEMISTRY | - | 1.01 Articolo in rivista | JCC‐NMR_PUBB_compressed.pdf; jcc27338-sup-0001-supinfo.docx |
| Optimal-tuning of range-separated density functionals to describe the optical and photophysical properties of rhodamine B dimers | Fanciullo, Giacomo; Adamo, Carlo; Rivalta, Ivan; Ciofini, Ilaria | 2024-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | Revised_RB-CT v_6.pdf; d4cp02147a1.pdf |
| Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct | Malakar, P.; Gholami, S.; Aarabi, M.; Rivalta, I.; Sheves, M.; Garavelli, M.; Ruhman, S. | 2024-01-01 | NATURE COMMUNICATIONS | - | 1.01 Articolo in rivista | s41467-024-46061-w.pdf; 41467_2024_46061_MOESM1_ESM.pdf |
| Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size | Cuellar-Zuquin, J.; Pepino, A. J.; Fde, z. Galvan I.; Rivalta, I.; Aquilante, F.; Garavelli, M.; ...Lindh, R.; Segarra-Marti, J. | 2023-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | Rivalta_editoriale.pdf; Supporting_info_Rivalta_ct3c00577_si_001_compressed.pdf |
| Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations | Fanciullo G.; Orlandi S.; Klymchenko A.S.; Muccioli L.; Rivalta I. | 2023-01-01 | MOLECULES | - | 1.01 Articolo in rivista | 99_rhodamine.pdf |