SORBELLI, DIEGO

SORBELLI, DIEGO  

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Risultati 1 - 20 di 20 (tempo di esecuzione: 0.164 secondi).
Titolo Data di pubblicazione Autore(i) File
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 2019 Luca, Gregori; Sorbelli, Diego; Belpassi, Leonardo; Tarantelli, Francesco; Belanzoni, Paola
An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2 2022 Sorbelli, Diego; Belanzoni, Paola; Belpassi, Leonardo; Lee, Ji-Woong; Ciancaleoni, Gianluca
Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects 2019 Sorbelli, Diego; Nunes dos santos comprido, Laura; Knizia, Gerald; Hashmi, A. Stephen K.; Belpassi, Leonardo; Belanzoni, Paola; Klein, Johannes E. M. N.
Chemical bond analysis for the entire periodic table: energy decomposition and natural orbitals for chemical valence in the four-component relativistic framework 2023 Sorbelli, D.; Belanzoni, P.; Storchi, L.; Bizzarri, O.; Bizzarri, B.; Mosconi, E.; Belpassi, L.
Cooperative small molecule activation by apolar and weakly polar bonds through the lens of a suitable computational protocol 2024 Sorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
Gold-Aluminyl and Gold-Diarylboryl Complexes: Bonding and Reactivity with Carbon Dioxide 2022 Sorbelli, Diego; Rossi, Elisa; Havenith, Remco W. A.; Klein, Johannes E. M. N.; Belpassi, Leonardo; Belanzoni, Paola
Ground and excited electronic states of AuH2 via detachment energies on AuH2− using state-of-the-art relativistic calculations 2020 Sorbelli, Diego; Belanzoni, Paola; Saue, Trond; Belpassi, Leonardo
How reduced are nucleophilic gold complexes? 2023 Leach, Isaac F.; Sorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola; Havenith, Remco W. A.; Klein, Johannes E. M. N.
Ligand Effect on Bonding in Gold(III) Carbonyl Complexes 2018 Sorbelli, Diego; Belpassi, Leonardo; Tarantelli, Francesco; Belanzoni, Paola
Mechanistic study of alkyne insertion into Cu−Al and Au−Al bonds: a paradigm shift for coinage metal chemistry 2022 Sorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
Monomeric gold hydrides for carbon dioxide reduction: ligand effect on the reactivity 2024 Rossi, E.; Sorbelli, D.; Belanzoni, P.; Belpassi, L.; Ciancaleoni, G.
Radical-like reactivity for dihydrogen activation by coinage metal–aluminyl complexes: computational evidence inspired by experimental main group chemistry 2023 Sorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold? 2021 Sorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
Spectroscopic/Bond Property Relationship in Group 11 Dihydrides via Relativistic Four-Component Methods 2020 Sorbelli, Diego; DE SANTIS, Matteo; Belanzoni, Paola; Belpassi, Leonardo
Spin–orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine 2020 Rossi, Elisa; DE SANTIS, Matteo; Sorbelli, Diego; Storchi, Loriano; Belpassi, Leonardo; Belanzoni, Paola
The mechanism of the gold(I)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-ol via 4-endo-dig cyclization 2021 Sorbelli, Diego; Segato, Jacopo; Del Zotto, Alessandro; Belpassi, Leonardo; Zuccaccia, Daniele; Belanzoni, Paola
Tuning the Gold(I)-Carbon σ Bond in Gold-Alkynyl Complexes through Structural Modifications of the NHC Ancillary Ligand: Effect on Spectroscopic Observables and Reactivity 2021 Sorbelli, D.; Belanzoni, P.; Belpassi, L.
Unraveling differences in aluminyl and carbene coordination chemistry: bonding in gold complexes and reactivity with carbon dioxide 2022 Sorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
What Singles out Aluminyl Anions? A Comparative Computational Study of the Carbon Dioxide Insertion Reaction in Gold–Aluminyl, −Gallyl, and −Indyl Complexes 2022 Sorbelli, D.; Belpassi, L.; Belanzoni, P.
Widening the Landscape of Small Molecule Activation with Gold-Aluminyl Complexes: A Systematic Study of E−H (E=O, N) Bonds, SO2 and N2O Activation 2023 Sorbelli, D.; Belpassi, L.; Belanzoni, P.