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 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
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
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
COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations
2018 GARAVELLI, NENOV, RIVALTA, WEINGART, ALTOE', SEGARRA-MARTI, DOKUKINA IRINA
Community Network Analysis of Allosteric Proteins
2021 Rivalta I.; Batista V.S.
| 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 | - |
| 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 | 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) | - |
| 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) | - |
| 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 | - |
| COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations | GARAVELLI, NENOV, RIVALTA, WEINGART, ALTOE', SEGARRA-MARTI, DOKUKINA IRINA | 2018-01-01 | JOURNAL OF MOLECULAR MODELING | - | 1.01 Articolo in rivista | - |
| Community Network Analysis of Allosteric Proteins | Rivalta I.; Batista V.S. | 2021-01-01 | - | Humana Press Inc. | 2.01 Capitolo / saggio in libro | - |