Publikationen von Giovanni Bistoni
Alle Typen
Zeitschriftenartikel (56)
2022
Zeitschriftenartikel
18 (4), S. 2292 - 2307 (2022)
Open-Shell Variant of the London Dispersion-Corrected Hartree–Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction Energies. Journal of Chemical Theory and Computation
Zeitschriftenartikel
144 (6), S. 2637 - 2656 (2022)
A Combined Spectroscopic and Computational Study on the Mechanism of Iron-Catalyzed Aminofunctionalization of Olefins Using Hydroxylamine Derived N–O Reagent as the “Amino” Source and “Oxidant”. Journal of the American Chemical Society 2021
Zeitschriftenartikel
4 (12), S. 1043 - 1049 (2021)
Harnessing the ambiphilicity of silyl nitronates in a catalytic asymmetric approach to aliphatic β3-amino acids. Nature Catalysis
Zeitschriftenartikel
125 (45), S. 9932 - 9939 (2021)
Addressing the System-Size Dependence of the Local Approximation Error in Coupled-Cluster Calculations. The Journal of Physical Chemistry A
Zeitschriftenartikel
12 (38), S. 12785 - 12793 (2021)
Unveiling the complex pattern of intermolecular interactions responsible for the stability of the DNA duplex. Chemical Science
Zeitschriftenartikel
143 (32), S. 12473 - 12479 (2021)
Triple Resonance Experiments for the Rapid Detection of 103Rh NMR Shifts: A Combined Experimental and Theoretical Study into Dirhodium and Bismuth–Rhodium Paddlewheel Complexes. Journal of the American Chemical Society
Zeitschriftenartikel
125 (28), S. 6151 - 6157 (2021)
Understanding the Nature and Properties of Hydrogen–Hydrogen Bonds: The Stability of a Bulky Phosphatetrahedrane as a Case Study. The Journal of Physical Chemistry A
Zeitschriftenartikel
17 (6), S. 3348 - 3359 (2021)
Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled Cluster Energy. Journal of Chemical Theory and Computation
Zeitschriftenartikel
143 (15), S. 5666 - 5673 (2021)
A New Ligand Design Based on London Dispersion Empowers Chiral Bismuth–Rhodium Paddlewheel Catalysts. Journal of the American Chemical Society
Zeitschriftenartikel
12 (8), S. 2916 - 2924 (2021)
Redesigning donor–acceptor Stenhouse adduct photoswitches through a joint experimental and computational study. Chemical Science
Zeitschriftenartikel
42 (5), S. 293 - 302 (2021)
Unraveling individual host–guest interactions in molecular recognition from first principles quantum mechanics: Insights into the nature of nicotinic acetylcholine receptor agonist binding. Journal of Computational Chemistry
Zeitschriftenartikel
121 (3), e26339 (2021)
Local energy decomposition of coupled‐cluster interaction energies: Interpretation, benchmarks, and comparison with symmetry‐adapted perturbation theory. International Journal of Quantum Chemistry 2020
Zeitschriftenartikel
142 (43), S. 18541 - 18553 (2020)
Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne gem-Hydrogenation. Journal of the American Chemical Society
Zeitschriftenartikel
16 (10), S. 6142 - 6149 (2020)
Extrapolation to the Limit of a Complete Pair Natural Orbital Space in Local Coupled-Cluster Calculations. Journal of Chemical Theory and Computation
Zeitschriftenartikel
59 (30), S. 12347 - 12351 (2020)
Strong and Confined Acids Control Five Stereogenic Centers in Catalytic Asymmetric Diels–Alder Reactions of Cyclohexadienones with Cyclopentadiene. Angewandte Chemie International Edition
Zeitschriftenartikel
152 (16), 164303 (2020)
The first microsolvation step for furans: New experiments and benchmarking strategies. The Journal of Chemical Physics
Zeitschriftenartikel
10 (3), e1442 (2020)
Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions. Wiley Interdisciplinary Reviews: Computational Molecular Science
Zeitschriftenartikel
2020 (13), S. 1177 - 1183 (2020)
Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N‐Heterocyclic Carbene Complexes. European Journal of Inorganic Chemistry
Zeitschriftenartikel
142 (7), S. 3613 - 3625 (2020)
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods. Journal of the American Chemical Society
Zeitschriftenartikel
142 (4), S. 1864 - 1870 (2020)
Dispersion Forces Drive the Formation of Uranium–Alkane Adducts. Journal of the American Chemical Society