Publications of Giovanni Bistoni

Journal Article (58)

2022
Journal Article
Bruno, G.; de Souza, B.; Neese, F.; Bistoni, G. Can Domain-Based Local Pair Natural Orbitals Approaches Accurately Predict Phosphorescence Energies? Physical Chemistry Chemical Physics 2022, 24, 14228–14241.
Journal Article
Caló, F. P.; Zimmer, A.; Bistoni, G.; Fürstner, A. From Serendipity to Rational Design: Heteroleptic Dirhodium Amidate Complexes for Diastereodivergent Asymmetric Cyclopropanation. Journal of the American Chemical Society 2022, 144, 7465–7478.
Journal Article
Altun, A.; Neese, F.; Bistoni, G. 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 2022, 18, 2292–2307.
Journal Article
Chatterjee, S.; Harden, I.; Bistoni, G.; Castillo, R. G.; Chabbra, S.; van Gastel, M.; Schnegg, A.; Bill, E.; Birrell, J. A.; Morandi, B.; Neese, F.; DeBeer, S. 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 2022, 144, 2637–2656.
2021
Journal Article
Das, S.; Mitschke, B.; De, C. K.; Harden, I.; Bistoni, G.; List, B. Harnessing the Ambiphilicity of Silyl Nitronates in a Catalytic Asymmetric Approach to Aliphatic β3-Amino Acids. Nature Catalysis 2021, 4, 1043–1049.
Journal Article
Altun, A.; Ghosh, S.; Riplinger, C.; Neese, F.; Bistoni, G. Addressing the System-Size Dependence of the Local Approximation Error in Coupled-Cluster Calculations. The Journal of Physical Chemistry A 2021, 125, 9932–9939.
Journal Article
Altun, A.; Garcia-Ratés, M.; Neese, F.; Bistoni, G. Unveiling the Complex Pattern of Intermolecular Interactions Responsible for the Stability of the DNA Duplex. Chemical Science 2021, 12, 12785–12793.
Journal Article
Caló, F. P.; Bistoni, G.; Auer, A. A.; Leutzsch, M.; Fürstner, A. 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 2021, 143, 12473–12479.
Journal Article
Riu, M.-L. Y.; Bistoni, G.; Cummins, C. C. 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 2021, 125, 6151–6157.
Journal Article
Ghosh, S.; Neese, F.; Izsák, R.; Bistoni, G. 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 2021, 17, 3348–3359.
Journal Article
Singha, S.; Buchsteiner, M.; Bistoni, G.; Goddard, R.; Fürstner, A. A New Ligand Design Based on London Dispersion Empowers Chiral Bismuth–Rhodium Paddlewheel Catalysts. Journal of the American Chemical Society 2021, 143, 5666–5673.
Journal Article
Berraud-Pache, R.; Santamaría-Aranda, E.; de Souza, B.; Bistoni, G.; Neese, F.; Sampedro, D.; Izsák, R. Redesigning Donor–Acceptor Stenhouse Adduct Photoswitches through a Joint Experimental and Computational Study. Chemical Science 2021, 12, 2916–2924.
Journal Article
Beck, M. E.; Riplinger, C.; Neese, F.; Bistoni, G. 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 2021, 42, 293–302.
Journal Article
Altun, A.; Izsák, R.; Bistoni, G. Local Energy Decomposition of Coupled‐Cluster Interaction Energies: Interpretation, Benchmarks, and Comparison with Symmetry‐Adapted Perturbation Theory. International Journal of Quantum Chemistry 2021, 121.
2020
Journal Article
Peil, S.; Bistoni, G.; Goddard, R.; Fürstner, A. Hydrogenative Metathesis of Enynes Via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne Gem-Hydrogenation. Journal of the American Chemical Society 2020, 142, 18541–18553.
Journal Article
Altun, A.; Neese, F.; Bistoni, G. Extrapolation to the Limit of a Complete Pair Natural Orbital Space in Local Coupled-Cluster Calculations. Journal of Chemical Theory and Computation 2020, 16, 6142–6149.
Journal Article
Ghosh, S.; Das, S.; De, C. K.; Yepes, D.; Neese, F.; Bistoni, G.; Leutzsch, M.; List, B. Strong and Confined Acids Control Five Stereogenic Centers in Catalytic Asymmetric Diels–Alder Reactions of Cyclohexadienones with Cyclopentadiene. Angewandte Chemie International Edition 2020, 59, 12347–12351.
Journal Article
Gottschalk, H. C.; Poblotzki, A.; Fatima, M.; Obenchain, D. A.; Pérez, C.; Antony, J.; Auer, A. A.; Baptista, L.; Benoit, D. M.; Bistoni, G.; Bohle, F.; Dahmani, R.; Firaha, D.; Grimme, S.; Hansen, A.; Harding, M. E.; Hochlaf, M.; Holzner, C.; Jansen, G.; Klopper, W.; Kopp, W. A.; Krasowska, M.; Kröger, L. C.; Leonhard, K.; Mogren Al-Mogren, M.; Mouhib, H.; Neese, F.; Pereira, M. N.; Prakash, M.; Ulusoy, I. S.; Mata, R. A.; Suhm, M. A.; Schnell, M. The First Microsolvation Step for Furans: New Experiments and Benchmarking Strategies. The Journal of Chemical Physics 2020, 152.
Journal Article
Bistoni, G. Finding Chemical Concepts in the Hilbert Space: Coupled Cluster Analyses of Noncovalent Interactions. Wiley Interdisciplinary Reviews: Computational Molecular Science 2020, 10.
Journal Article
Izquierdo, M. A.; Tarantelli, F.; Broer, R.; Bistoni, G.; Belpassi, L.; Havenith, R. W. A. Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N‐Heterocyclic Carbene Complexes. European Journal of Inorganic Chemistry 2020, 2020, 1177–1183.
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