RIVALTA, IVAN
RIVALTA, IVAN
DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"
Docenti di ruolo di IIa fascia
ACS Sustainable Chemistry & Engineering
In corso di stampa Ivan Rivalta
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
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
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 Giacomo Fanciullo; Carlo Adamo; Ivan Rivalta; Ilaria Ciofini
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.; Fdez. 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.
Connected Component Analysis of Dynamical Perturbation Contact Networks
2023 Gheeraert A.; Lesieur C.; Batista V.S.; Vuillon L.; Rivalta I.
Effect of Capping Ligands for the Synthesis of Gold Nanoparticles and on the Catalytic Performance for the Oxidation of 5-Hydroxymethyl-2-furfural
2023 Francesca Liuzzi, Alessia Ventimiglia, Alessandro Allegri , Elena Rodríguez-Aguado, Juan Antonio Cecilia, Ivan Rivalta , Nikolaos Dimitratos,Stefania Albonetti
Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes
2023 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
2023 Andrea Piazzi, Francesco Calcagno, Ivan Rivalta, Alessandro Messori, Anna Gagliardi, Cristiana Cesari, Tommaso Tabanelli, Rita Mazzoni, Fabrizio Cavani
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
2023 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.
Predicting the exchange coupling constant in a diiron complex
2023 Francesco Calcagno, Francesco Montorsi, Luca Rigamonti, Rita Mazzoni, Giovanni Li Manni, Ivan Rivalta
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes
2023 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.
RUTHENIUM BIFUNCTIONAL BASED CATALYTIC SYSTEMS TO TUNE EFFICENCY AND SELECTIVITY IN ALCOHOL HOMOLOGATION
2023 Rita Mazzoni, Alessandro Messori, Andrea Piazzi, Cristiana Cesari, Massimiliano Curcio, Anna Gagliardi, Ivan Rivalta, Francesco Calcagno, Tommaso Tabanelli, Fabrizio Cavani
Structure-activity relationships of ZrO2 crystalline phases in the catalytic transfer hydrogenation of methyl levulinate with ethanol
2023 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.
SYNERGISTIC COMPUTATIONAL AND EXPERIMENTAL STUDY OF THE MECHANISM OF THE RU-CATALYSED GUERBET REACTION
2023 Francesco Calcagno, Cristiana Cesari, Alessandro Messori, Anna Gagliardi, Fahmi Himo, Ivan Rivalta, Rita Mazzoni
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter
2023 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 OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
2023 Li Manni G.; Fdez. 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.; Olivucci M.; Oppel M.; Padula D.; Pandharkar R.; Phung Q.M.; Plasser F.; Raggi G.; Rebolini E.; Reiher M.; Rivalta I.; Roca-Sanjuan D.; Romig T.; Safari A.A.; Sanchez-Mansilla A.; Sand A.M.; Schapiro I.; Scott T.R.; Segarra-Marti J.; Segatta F.; Sergentu D.-C.; Sharma P.; Shepard R.; Shu Y.; Staab J.K.; Straatsma T.P.; Sorensen L.K.; Tenorio B.N.C.; Truhlar D.G.; Ungur L.; Vacher M.; Veryazov V.; Voss T.A.; Weser O.; Wu D.; Yang X.; Yarkony D.; Zhou C.; Zobel J.P.; Lindh R.
| 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 | - |
| 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 |
| 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 | - |
| 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_manuscript.pdf; jcc27338-sup-0001-supinfo.docx |
| Optimal-tuning of range-separated density functionals to describe the optical and photophysical properties of rhodamine B dimers | Giacomo Fanciullo; Carlo Adamo; Ivan Rivalta; Ilaria Ciofini | 2024-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| 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.; Fdez. 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 |
| Connected Component Analysis of Dynamical Perturbation Contact Networks | Gheeraert A.; Lesieur C.; Batista V.S.; Vuillon L.; Rivalta I. | 2023-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL | - | 1.01 Articolo in rivista | gheeraert-et-al-2023-connected-component-analysis-of-dynamical-perturbation-contact-networks.pdf; Supplementary_information_jp3c04592_si_001.pdf |
| Effect of Capping Ligands for the Synthesis of Gold Nanoparticles and on the Catalytic Performance for the Oxidation of 5-Hydroxymethyl-2-furfural |
Francesca Liuzzi, Alessia Ventimiglia, Alessandro Allegri , Elena Rodríguez-Aguado, Juan Antonio... Cecilia, Ivan Rivalta , Nikolaos Dimitratos,Stefania Albonetti |
2023-01-01 | CATALYSTS | - | 1.01 Articolo in rivista | Effect_of_Capping_Ligands_for_the_Synthesis_of_Gol (2).pdf |
| Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes | Andrea Piazzi, Francesco Calcagno, Ivan Rivalta, Alessandro Messori, Anna Gagliardi, Cristiana Ce...sari, Tommaso Tabanelli, Rita Mazzoni, Fabrizio Cavani | 2023-01-01 | - | - | 4.02 Riassunto (Abstract) | - |
| Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes | Andrea Piazzi, Francesco Calcagno, Ivan Rivalta, Alessandro Messori, Anna Gagliardi, Cristiana Ce...sari, Tommaso Tabanelli, Rita Mazzoni, Fabrizio Cavani | 2023-01-01 | - | - | 4.02 Riassunto (Abstract) | - |
| 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 | 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. | 2023-01-01 | GREEN CHEMISTRY | - | 1.01 Articolo in rivista | d2gc04418h.pdf |
| Predicting the exchange coupling constant in a diiron complex | Francesco Calcagno, Francesco Montorsi, Luca Rigamonti, Rita Mazzoni, Giovanni Li Manni, Ivan Riv...alta | 2023-01-01 | - | - | 4.02 Riassunto (Abstract) | - |
| Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes | Aarabi M.; Aranda D.; Gholami S.; Meena S.K.; Lerouge F.; Bretonniere Y.; Gurol I.; Baldeck P.; P...arola S.; Dumoulin F.; Cerezo J.; Garavelli M.; Santoro F.; Rivalta I. | 2023-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | aarabi-et-al-2023-quantum-classical-protocol-for-efficient-characterization-of-absorption-lineshape-and-fluorescence.pdf; Supporting_info_ct3c00446_si_001.pdf |
| RUTHENIUM BIFUNCTIONAL BASED CATALYTIC SYSTEMS TO TUNE EFFICENCY AND SELECTIVITY IN ALCOHOL HOMOLOGATION | Rita Mazzoni, Alessandro Messori, Andrea Piazzi, Cristiana Cesari, Massimiliano Curcio, Anna Gagl...iardi, Ivan Rivalta, Francesco Calcagno, Tommaso Tabanelli, Fabrizio Cavani | 2023-01-01 | - | - | 4.02 Riassunto (Abstract) | - |
| Structure-activity relationships of ZrO2 crystalline phases in the catalytic transfer hydrogenation of methyl levulinate with ethanol | 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. | 2023-01-01 | JOURNAL OF CATALYSIS | - | 1.01 Articolo in rivista | 1-s2.0-S0021951723004220-main.pdf |
| SYNERGISTIC COMPUTATIONAL AND EXPERIMENTAL STUDY OF THE MECHANISM OF THE RU-CATALYSED GUERBET REACTION |
Francesco Calcagno, Cristiana Cesari, Alessandro Messori, Anna Gagliardi, Fahmi Himo, Ivan Rival...ta, Rita Mazzoni |
2023-01-01 | - | - | 4.02 Riassunto (Abstract) | - |
| The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter | 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. | 2023-01-01 | NATURE COMMUNICATIONS | - | 1.01 Articolo in rivista | s41467-023-42874-3.pdf; Supplementary_information_41467_2023_42874_MOESM1_ESM_compressed.pdf |
| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry | Li Manni G.; Fdez. Galvan I.; Alavi A.; Aleotti F.; Aquilante F.; Autschbach J.; Avagliano D.; Ba...iardi 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.; Olivucci M.; Oppel M.; Padula D.; Pandharkar R.; Phung Q.M.; Plasser F.; Raggi G.; Rebolini E.; Reiher M.; Rivalta I.; Roca-Sanjuan D.; Romig T.; Safari A.A.; Sanchez-Mansilla A.; Sand A.M.; Schapiro I.; Scott T.R.; Segarra-Marti J.; Segatta F.; Sergentu D.-C.; Sharma P.; Shepard R.; Shu Y.; Staab J.K.; Straatsma T.P.; Sorensen L.K.; Tenorio B.N.C.; Truhlar D.G.; Ungur L.; Vacher M.; Veryazov V.; Voss T.A.; Weser O.; Wu D.; Yang X.; Yarkony D.; Zhou C.; Zobel J.P.; Lindh R. | 2023-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | SI_compressed.pdf; NENOV_li-manni-et-al-2023-the-openmolcas-web-a-community-driven-approach-to-advancing-computational-chemistry (9).pdf |