SORBELLI, DIEGO
SORBELLI, DIEGO
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.