Publikationen von Giovanni Bistoni
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Zeitschriftenartikel (70)
2019
Zeitschriftenartikel
Altun, A.; ; Neese, F.; Bistoni, G. 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 2019, 15, 1616–1632.
Zeitschriftenartikel
Neese, F.; Atanasov, M.; Bistoni, G.; Maganas, D.; Ye, S. Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers. Journal of the American Chemical Society 2019, 141, 2814–2824.
Zeitschriftenartikel
Altun, A.; Neese, F.; Bistoni, G. Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study. Journal of Chemical Theory and Computation 2019, 15, 215–228.
2018
Zeitschriftenartikel
Altun, A.; Neese, F.; Bistoni, G.; 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 2018, 24, 18922–18932.
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Zeitschriftenartikel
Gatzenmeier, T.; Turberg, M.; Yepes, D.; Xie, Y.; Neese, F.; Bistoni, G.; List, B. Scalable and Highly Diastereo- and Enantioselective Catalytic Diels−Alder Reaction of α,β - Unsaturated Methyl Esters. Journal of the American Chemical Society 2018, 140, 12671–12676.
Zeitschriftenartikel
Bistoni, G.; Polyak, I.; ; Thiel, W.; Neese, F. Toward Accurate QM/MM Reaction Barriers with Large QM Regions Using Domain Based Pair Natural Orbital Coupled Cluster Theory. Journal of Chemical Theory and Computation 2018, 14, 3524–3531.
Zeitschriftenartikel
Altun, A.; Neese, F.; Bistoni, G. Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study. Beilstein Journal of Organic Chemistry 2018, 14, 919–929.
Zeitschriftenartikel
Lu, Q.; Neese, F.; Bistoni, G. Formation of Agostic Structures Driven by London Dispersion. Angewandte Chemie International Edition 2018, 57, 4760–4764.
Zeitschriftenartikel
Auer, A. A.; ; ; Bistoni, G.; ; ; ; ; ; ; ; ; ; ; ; ; ; ; Neese, F.; ; ; ; The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of Chemical Physics 2018, 148, 014301.
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Zeitschriftenartikel
Auer, A. A.; Bistoni, G.; ; ; ; Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process. ChemPlusChem 2017, 82, 1396–1407.
Zeitschriftenartikel
Bistoni, G.; Riplinger, C.; ; ; Auer, A. A.; Neese, F. Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach. Journal of Chemical Theory and Computation 2017, 13, 3220–3227.
Zeitschriftenartikel
Bistoni, G.; ; ; ; Modulating the Bonding Properties of N‐Heterocyclic Carbenes (NHCs): A Systematic Charge‐Displacement Analysis. Chemistry – A European Journal 2017, 23, 7558–7569.
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Zeitschriftenartikel
Bistoni, G.; Riplinger, C.; Auer, A. A.; Neese, F.; Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation. Physical Chemistry Chemical Physics 2017, 19, 9374–9391.
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Zeitschriftenartikel
Bistoni, G.; ; ; ; ; 13C NMR Spectroscopy of N‐Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes. Chemistry – A European Journal 2017, 23, 2722–2728.
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Zeitschriftenartikel
Bistoni, G.; Auer, A. A.; Neese, F. Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain‐Based Local Pair Natural Orbital Coupled Cluster Study. Chemistry – A European Journal 2017, 23, 865–873.
2016
Zeitschriftenartikel
Schneider, W. B.; Bistoni, G.; Sparta, M.; Saitow, M.; Riplinger, C.; Auer, A. A.; Neese, F. Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework. Journal of Chemical Theory and Computation 2016, 12, 4778–4792.
Zeitschriftenartikel
Bistoni, G.; ; ; π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis. The Journal of Physical Chemistry A 2016, 120, 5239–5247.
Zeitschriftenartikel
Bistoni, G.; ; ; Strong Electron-Donating Ligands Accelerate the Protodeauration Step in Gold(I)-Catalyzed Reactions: A Quantitative Understanding of the Ligand Effect. Organometallics 2016, 35, 2275–2285.
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Zeitschriftenartikel
Bistoni, G.; ; Advances in Charge Displacement Analysis. Journal of Chemical Theory and Computation 2016, 12, 1236–1244.
Zeitschriftenartikel
Bistoni, G.; ; ; ; ; ; How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes. Chemical Science 2016, 7, 1174–1184.