RIVALTA, IVAN
RIVALTA, IVAN
DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"
Docenti di ruolo di IIa fascia
A theoretical study of ethylene dehydrogenation by bare Niobium atom and cation
2006 Rivalta, Ivan; Russo, Nino; Sicilia, Emilia*
Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach
2014 Ivan Rivalta; Artur Nenov; Giulio Cerullo; Shaul Mukamel; Marco Garavelli
Acetylene cyclotrimerization by early second-row transition metals in the gas phase. A theoretical study
2005 Martinez, Mayra; Michelini, Maria Del Carmen; Rivalta, Ivan; Russo, Nino; Sicilia, Emilia*
Activation of methane by the iron dimer cation. A theoretical study
2006 Chiodo, Sandro; Rivalta, Ivan; Del Carmen Michelini, Maria; Russo, Nino; Sicilia, Emilia*; Ugalde, Jesus M.
Adsorption of ethylene, vinyl, acetic acid, and acetate species on PdAu(111) and PdAu(100) surface alloys: A cluster model study
2009 RIVALTA, IVAN; Mazzone, Gloria; Russo, Nino; Sicilia, Emilia*
Allosteric Communication Disrupted by a Small Molecule Binding to the Imidazole Glycerol Phosphate Synthase Protein-Protein Interface
2016 Rivalta, Ivan; Lisi, George P.; Snoeberger, Ning-Shiuan; Manley, Gregory; Loria, J. Patrick; Batista, Victor S.
Allosteric pathways in imidazole glycerol phosphate synthase
2012 Rivalta, Ivan*; Sultan, Mohammad M.; Lee, Ning-Shiuan; Manley, Gregory A.; Loria, J. Patrick; Batista, Victor S.
Allosteric Pathways in the PPARγ 3-RXRα nuclear receptor complex
2016 Ricci, Clarisse G.; Silveira, Rodrigo L.; Rivalta, Ivan; Batista, Victor S.; Skaf, Munir S.*
Allostery in Its Many Disguises: From Theory to Applications
2019 Wodak, Shoshana J; Paci, Emanuele; Dokholyan, Nikolay V; Berezovsky, Igor N; Horovitz, Amnon; Li, Jing; Hilser, Vincent J; Bahar, Ivet; Karanicolas, John; Stock, Gerhard; Hamm, Peter; Stote, Roland H; Eberhardt, Jerome; Chebaro, Yassmine; Dejaegere, Annick; Cecchini, Marco; Changeux, Jean-Pierre; Bolhuis, Peter G; Vreede, Jocelyne; Faccioli, Pietro; Orioli, Simone; Ravasio, Riccardo; Yan, Le; Brito, Carolina; Wyart, Matthieu; Gkeka, Paraskevi; Rivalta, Ivan; Palermo, Giulia; McCammon, J Andrew; Panecka-Hofman, Joanna; Wade, Rebecca C; Di Pizio, Antonella; Niv, Masha Y; Nussinov, Ruth; Tsai, Chung-Jung; Jang, Hyunbum; Padhorny, Dzmitry; Kozakov, Dima; McLeish, Tom
Atomic configurations of Pd atoms in PdAu(1 1 1) and PdAu(1 0 0) surface alloys: Ab initio density functional calculations
2009 Gotsis, H.J.; Rivalta, I.; Sicilia, E.; Russo, N.*
Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles
2014 Artur Nenov;Ivan Rivalta;Shaul Mukamel;Marco Garavelli
Bimetallic Co-M (M = Cu, Ag, and Au) Carbonyl Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis, Structures, Computational Investigation, and Catalysis for Ammonia Borane Dehydrogenation
2021 Cesari C.; Berti B.; Calcagno F.; Lucarelli C.; Garavelli M.; Mazzoni R.; Rivalta I.; Zacchini S.
Boosting the guerbet reaction: A cooperative catalytic system for the efficient bio-ethanol refinery to second-generation biofuels
2022 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 homogeneous catalytic system for bioethanol refinery to second-generation biofuels
2022 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
2022 Anna GAGLIARDI, Cristiana CESARI, Alessandro MESSORI, Nicola MONTI, Carlo LUCARELLI, Tommaso TABANELLI, Valerio ZANOTTI, Francesco CALCAGNO, Ivan RIVALTA, Fabrizio CAVANI, Rita MAZZONI
Carbon dioxide reduction mechanism on Ru-based electrocatalysts [Ru(bpy)2(CO)2]2+: insights from first-principles theory
2021 Damas G.B.; Ivashchenko D.A.; Rivalta I.; Araujo C.M.
Characterization of an amorphous iridium water-oxidation catalyst electrodeposited from organometallic precursors
2013 Blakemore, James D.; Mara, Michael W.; Kushner-Lenhoff, Maxwell N.; Schley, Nathan D.; Konezny, Steven J.; Rivalta, Ivan; Negre, Christian F. A.; Snoeberger, Robert C.; Kokhan, Oleksandr; Huang, Jier; Stickrath, Andrew; Tran, Lan Anh; Parr, Maria L.; Chen, Lin X.; Tiede, David M.; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.
Characterization of Protein Tyrosine Phosphatase 1B Inhibition by Chlorogenic Acid and Cichoric Acid
2017 Lipchock, James M.; Hendrickson, Heidi P.; Douglas, Bonnie B.; Bird, Kelly E.; Ginther, Patrick S.; Rivalta, Ivan; Ten, Nicholas S.; Batista, Victor S.; Loria, J Patrick
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.
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| A theoretical study of ethylene dehydrogenation by bare Niobium atom and cation | Rivalta, Ivan; Russo, Nino; Sicilia, Emilia* | 2006-01-01 | JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM | - | 1.01 Articolo in rivista | - |
| Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach | Ivan Rivalta; Artur Nenov; Giulio Cerullo; Shaul Mukamel; Marco Garavelli | 2014-01-01 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | - | 1.01 Articolo in rivista | - |
| Acetylene cyclotrimerization by early second-row transition metals in the gas phase. A theoretical study | Martinez, Mayra; Michelini, Maria Del Carmen; Rivalta, Ivan; Russo, Nino; Sicilia, Emilia* | 2005-01-01 | INORGANIC CHEMISTRY | - | 1.01 Articolo in rivista | - |
| Activation of methane by the iron dimer cation. A theoretical study | Chiodo, Sandro; Rivalta, Ivan; Del Carmen Michelini, Maria; Russo, Nino; Sicilia, Emilia*; Ugalde..., Jesus M. | 2006-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY | - | 1.01 Articolo in rivista | - |
| Adsorption of ethylene, vinyl, acetic acid, and acetate species on PdAu(111) and PdAu(100) surface alloys: A cluster model study | RIVALTA, IVAN; Mazzone, Gloria; Russo, Nino; Sicilia, Emilia* | 2009-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
| Allosteric Communication Disrupted by a Small Molecule Binding to the Imidazole Glycerol Phosphate Synthase Protein-Protein Interface | Rivalta, Ivan; Lisi, George P.; Snoeberger, Ning-Shiuan; Manley, Gregory; Loria, J. Patrick; Bati...sta, Victor S. | 2016-01-01 | BIOCHEMISTRY | - | 1.01 Articolo in rivista | - |
| Allosteric pathways in imidazole glycerol phosphate synthase | Rivalta, Ivan*; Sultan, Mohammad M.; Lee, Ning-Shiuan; Manley, Gregory A.; Loria, J. Patrick; Bat...ista, Victor S. | 2012-01-01 | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | - | 1.01 Articolo in rivista | - |
| Allosteric Pathways in the PPARγ 3-RXRα nuclear receptor complex | Ricci, Clarisse G.; Silveira, Rodrigo L.; Rivalta, Ivan; Batista, Victor S.; Skaf, Munir S.* | 2016-01-01 | SCIENTIFIC REPORTS | - | 1.01 Articolo in rivista | - |
| Allostery in Its Many Disguises: From Theory to Applications | Wodak, Shoshana J; Paci, Emanuele; Dokholyan, Nikolay V; Berezovsky, Igor N; Horovitz, Amnon; Li,... Jing; Hilser, Vincent J; Bahar, Ivet; Karanicolas, John; Stock, Gerhard; Hamm, Peter; Stote, Roland H; Eberhardt, Jerome; Chebaro, Yassmine; Dejaegere, Annick; Cecchini, Marco; Changeux, Jean-Pierre; Bolhuis, Peter G; Vreede, Jocelyne; Faccioli, Pietro; Orioli, Simone; Ravasio, Riccardo; Yan, Le; Brito, Carolina; Wyart, Matthieu; Gkeka, Paraskevi; Rivalta, Ivan; Palermo, Giulia; McCammon, J Andrew; Panecka-Hofman, Joanna; Wade, Rebecca C; Di Pizio, Antonella; Niv, Masha Y; Nussinov, Ruth; Tsai, Chung-Jung; Jang, Hyunbum; Padhorny, Dzmitry; Kozakov, Dima; McLeish, Tom | 2019-01-01 | STRUCTURE | - | 1.01 Articolo in rivista | - |
| Atomic configurations of Pd atoms in PdAu(1 1 1) and PdAu(1 0 0) surface alloys: Ab initio density functional calculations | Gotsis, H.J.; Rivalta, I.; Sicilia, E.; Russo, N.* | 2009-01-01 | CHEMICAL PHYSICS LETTERS | - | 1.01 Articolo in rivista | - |
| Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles | Artur Nenov;Ivan Rivalta;Shaul Mukamel;Marco Garavelli | 2014-01-01 | COMPUTATIONAL AND THEORETICAL CHEMISTRY | - | 1.01 Articolo in rivista | - |
| Bimetallic Co-M (M = Cu, Ag, and Au) Carbonyl Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis, Structures, Computational Investigation, and Catalysis for Ammonia Borane Dehydrogenation | Cesari C.; Berti B.; Calcagno F.; Lucarelli C.; Garavelli M.; Mazzoni R.; Rivalta I.; Zacchini S. | 2021-01-01 | ORGANOMETALLICS | - | 1.01 Articolo in rivista | OM_2021_CoNHC.pdf |
| Boosting the guerbet reaction: A cooperative catalytic system for the efficient bio-ethanol refinery to second-generation biofuels | Cesari, Cristiana; Gagliardi, Anna; Messori, Alessandro; Monti, Nicola; Zanotti, Valerio; Zacchin...i, Stefano; Rivalta, Ivan; Calcagno, Francesco; Lucarelli, Carlo; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita | 2022-01-01 | JOURNAL OF CATALYSIS | - | 1.01 Articolo in rivista | Guerbet-j-cat-postscript.pdf |
| Boosting the Guerbet reaction: a cooperative homogeneous catalytic system for bioethanol refinery to second-generation biofuels | Alessandro Messori, Cristiana Cesari, Anna Gagliardi, Nicola Monti , Valerio Zanotti, Stefano Zac...chini, Ivan Rivalta, Francesco Calcagno, Carlo Lucarelli, Tommaso Tabanelli, Fabrizio Cavani, Rita Mazzoni | 2022-01-01 | - | - | 4.02 Riassunto (Abstract) | - |
| BOOSTING THE GUERBET REACTION: A COOPERATIVE HOMOGENEOUS CATALYTIC SYSTEM FOR BIOETHANOL REFINERY TO SECOND-GENERATION BIOFUELS | Anna GAGLIARDI, Cristiana CESARI, Alessandro MESSORI, Nicola MONTI, Carlo LUCARELLI, Tommaso TABA...NELLI, Valerio ZANOTTI, Francesco CALCAGNO, Ivan RIVALTA, Fabrizio CAVANI, Rita MAZZONI | 2022-01-01 | - | - | 4.02 Riassunto (Abstract) | - |
| Carbon dioxide reduction mechanism on Ru-based electrocatalysts [Ru(bpy)2(CO)2]2+: insights from first-principles theory | Damas G.B.; Ivashchenko D.A.; Rivalta I.; Araujo C.M. | 2021-01-01 | SUSTAINABLE ENERGY & FUELS | - | 1.01 Articolo in rivista | d1se01315g_RIVALTA.pdf |
| Characterization of an amorphous iridium water-oxidation catalyst electrodeposited from organometallic precursors | Blakemore, James D.; Mara, Michael W.; Kushner-Lenhoff, Maxwell N.; Schley, Nathan D.; Konezny, S...teven J.; Rivalta, Ivan; Negre, Christian F. A.; Snoeberger, Robert C.; Kokhan, Oleksandr; Huang, Jier; Stickrath, Andrew; Tran, Lan Anh; Parr, Maria L.; Chen, Lin X.; Tiede, David M.; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W. | 2013-01-01 | INORGANIC CHEMISTRY | - | 1.01 Articolo in rivista | - |
| Characterization of Protein Tyrosine Phosphatase 1B Inhibition by Chlorogenic Acid and Cichoric Acid | Lipchock, James M.; Hendrickson, Heidi P.; Douglas, Bonnie B.; Bird, Kelly E.; Ginther, Patrick S....; Rivalta, Ivan; Ten, Nicholas S.; Batista, Victor S.; Loria, J Patrick | 2017-01-01 | BIOCHEMISTRY | - | 1.01 Articolo in rivista | - |
| 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 |