Publikationen von Giovanni Bistoni
Alle Typen
Zeitschriftenartikel (65)
2021
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
Zeitschriftenartikel
142 (3), S. 1457 - 1464 (2020)
Formyltetrahydrofolate Decarbonylase Synthesizes the Active Site CO Ligand of O2-Tolerant [NiFe] Hydrogenase. Journal of the American Chemical Society
Zeitschriftenartikel
16 (1), S. 564 - 575 (2020)
Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method. Journal of Chemical Theory and Computation 2019
Zeitschriftenartikel
15 (11), S. 5894 - 5907 (2019)
HFLD: A Non-empirical London Dispersion Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems. Journal of Chemical Theory and Computation
Zeitschriftenartikel
10 (17), S. 4822 - 4828 (2019)
Computational Design of Near-Infrared Fluorescent Organic Dyes Using an Accurate New Wave Function Approach. The Journal of Physical Chemistry Letters
Zeitschriftenartikel
123 (24), S. 5081 - 5090 (2019)
Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study. The Journal of Physical Chemistry A
Zeitschriftenartikel
21 (22), S. 11569 - 11577 (2019)
London dispersion effects in the coordination and activation of alkanes in σ-complexes: a local energy decomposition study. Physical Chemistry Chemical Physics
Zeitschriftenartikel
15 (3), S. 1616 - 1632 (2019)
Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework. Journal of Chemical Theory and Computation
Zeitschriftenartikel
141 (7), S. 2814 - 2824 (2019)
Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers. Journal of the American Chemical Society
Zeitschriftenartikel
15 (1), S. 215 - 228 (2019)
Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study. Journal of Chemical Theory and Computation 2018
Zeitschriftenartikel
24 (71), S. 18922 - 18932 (2018)
London Dispersion Interactions in Pnictogen Cations [ECl2]+ and [E=E]2+ (E=P, As, Sb) Supported by Anionic N-Heterocyclic Carbenes. Chemistry – A European Journal
Zeitschriftenartikel
140 (40), S. 12671 - 12676 (2018)
Scalable and Highly Diastereo- and Enantioselective Catalytic Diels−Alder Reaction of α,β - Unsaturated Methyl Esters. Journal of the American Chemical Society