Ivan Rivalta
Università degli Studi di Bologna
H-index: 34
Europe-Italy
Top articles of Ivan Rivalta
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Modeling solvent effects and convergence of 31P‐NMR shielding calculations with COBRAMM | Journal of Computational Chemistry | Francesco Calcagno Boris Maryasin Marco Garavelli Davide Avagliano Ivan Rivalta | 2024/3/21 |
Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct | Nature Communications | Partha Malakar Samira Gholami Mohammad Aarabi Ivan Rivalta Mordechai Sheves | 2024/3/8 |
Influence of stabilisers on the catalytic activity of supported Au colloidal nanoparticles for the liquid phase oxidation of glucose to glucaric acid: understanding the … | Green Chemistry | Eleonora Monti Alessia Ventimiglia Luke Forster Elena Rodríguez-Aguado Juan Antonio Cecilia | 2023 |
Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase | Nature Communications | Federica Maschietto Uriel Morzan Florentina Tofoleanu Aria Gheeraert Apala Chaudhuri | 2023/4/19 |
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes | Journal of Chemical Theory and Computation | Mohammad Aarabi Daniel Aranda Samira Gholami Santosh Kumar Meena Frederic Lerouge | 2023/8/29 |
Predicting the exchange coupling constant in a diiron complex | Francesco Calcagno Francesco Montorsi Luca Rigamonti Rita Mazzoni Giovanni Li Manni | 2023 | |
Connected Component Analysis of Dynamical Perturbation Contact Networks | The Journal of Physical Chemistry B | Aria Gheeraert Claire Lesieur Victor S Batista Laurent Vuillon Ivan Rivalta | 2023/8/29 |
RUTHENIUM BIFUNCTIONAL BASED CATALYTIC SYSTEMS TO TUNE EFFICENCY AND SELECTIVITY IN ALCOHOL HOMOLOGATION | Rita Mazzoni Alessandro Messori Andrea Piazzi Cristiana Cesari Massimiliano Curcio | 2023 | |
Structure-activity relationships of ZrO2 crystalline phases in the catalytic transfer hydrogenation of methyl levulinate with ethanol | Journal of Catalysis | Riccardo Bacchiocchi Alessia Ventimiglia Andrea Canciani Giorgia Peroni Tommaso Tabanelli | 2023/12/1 |
Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations | Molecules | Giacomo Fanciullo Silvia Orlandi Andrey S Klymchenko Luca Muccioli Ivan Rivalta | 2023/6/13 |
SYNERGISTIC COMPUTATIONAL AND EXPERIMENTAL STUDY OF THE MECHANISM OF THE RU-CATALYSED GUERBET REACTION | Francesco Calcagno Cristiana Cesari Alessandro Messori Anna Gagliardi Fahmi Himo | 2023 | |
Effect of Capping Ligands for the Synthesis of Gold Nanoparticles and on the Catalytic Performance for the Oxidation of 5-Hydroxymethyl-2-furfural | Catalysts | Francesca Liuzzi Alessia Ventimiglia Alessandro Allegri Elena Rodríguez-Aguado Juan Antonio Cecilia | 2023/6/9 |
Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size | Journal of Chemical Theory and Computation | Juliana Cuéllar-Zuquin Ana Julieta Pepino Ignacio Fdez. Galván Ivan Rivalta Francesco Aquilante | 2023/10/26 |
Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes | Andrea Piazzi Francesco Calcagno Ivan Rivalta Alessandro Messori Anna Gagliardi | 2023 | |
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry | Journal of Chemical Theory and Computation | Giovanni Li Manni Ignacio Fdez. Galván Ali Alavi Flavia Aleotti Francesco Aquilante | 2023/5/22 |
Mechanistic Study of selective Electrochemical Reduction of Hydroxymethyl Furfural using Grand-Canonical DFT | Fabio Loprete Patricia Benito Ivan Rivalta Stephan N Steinmann Carine Michel | 2023/9/3 | |
How to bring alcohols out of the Guerbet’s labyrinth: an efficient homogeneous catalytic approach | Rita Mazzoni Cristiana Cesari Anna Gagliardi Alessandro Messori Valerio Zanotti | 2022 | |
Insight on chirality encoding from small thiolated molecule to plasmonic Au@ Ag and Au@ Au nanoparticles | ACS nano | Antonio Carone Pablo Mariani Anthony Desert Marco Romanelli Jacopo Marcheselli | 2022/1/7 |
Modelling quenching mechanisms of disordered molecular systems in the presence of molecular aggregates | Physical Chemistry Chemical Physics | Giacomo Fanciullo Irene Conti Pascal Didier Andrey Klymchenko Jérémie Léonard | 2022 |
The Guerbet reaction kinetic enigma; how co-catalysts play a crucial role in the catalytic cycle | Alessandro Messori Cristiana Cesari Anna Gagliardi Ivan Rivalta Francesco Calcagno | 2022 |
