Publikationen von Giovanni Bistoni

Lu, Q.; Neese, F.; Bistoni, G.: Formation of Agostic Structures Driven by London Dispersion. Angewandte Chemie International Edition 57 (17), S. 4760 - 4764 (2018)

Gottschalk, H. C.; Poblotzki, A.; Suhm, M. A.; Al-Mogren, M. M.; Antony, J.; Auer, A. A.; Baptista, L.; Benoit, D. M.; Bistoni, G.; Bohle, F. et al.; Dahmani, R.; Firaha, D.; Grimme, S.; Hansen, A.; Harding, M. E.; Hochlaf, M.; Holzner, C.; Jansen, G.; Klopper, W.; Kopp, W. A.; Kröger, L. C.; Leonhard, K.; Mouhib, H.; Neese, F.; Pereira, M. N.; Ulusoy, I. S.; Wuttke, A.; Mata, R. A.: The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of Chemical Physics 148 (1), 014301 (2018)

Auer, A. A.; Bistoni, G.; Kitschke, P.; Mehring, M.; Ebert, T.; Spange, S.: Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process. ChemPlusChem 82 (12), S. 1396 - 1407 (2017)

Bistoni, G.; Riplinger, C.; Minenkov, Y.; Cavallo, L.; 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 13 (7), S. 3220 - 3227 (2017)

Gaggioli, C. A.; Bistoni, G.; Ciancaleoni, G.; Tarantelli, F.; Belpassi, L.; Belanzoni, P.: Modulating the Bonding Properties of N‐Heterocyclic Carbenes (NHCs): A Systematic Charge‐Displacement Analysis. Chemistry – A European Journal 23 (31), S. 7558 - 7569 (2017)

Minenkov, Y.; Bistoni, G.; Riplinger, C.; Auer, A. A.; Neese, F.; Cavallo, L.: 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 19 (14), S. 9374 - 9391 (2017)

Marchione, D.; Izquierdo, M. A.; Bistoni, G.; Havenith, R. W. A.; Macchioni, A.; Zuccaccia, D.; Tarantelli, F.; Belpassi, L.: ¹³C NMR Spectroscopy of N‐Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes. Chemistry – A European Journal 23 (11), S. 2722 - 2728 (2017)

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 23 (4), S. 865 - 873 (2017)

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 12 (10), S. 4778 - 4792 (2016)

Bistoni, G.; Belanzoni, P.; Belpassi, L.; Tarantelli, F.: π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis. The Journal of Physical Chemistry A 120 (27), S. 5239 - 5247 (2016)

Gaggioli, C. A.; Ciancaleoni, G.; Zuccaccia, D.; Bistoni, G.; Belpassi, L.; Tarantelli, F.; Belanzoni, P.: Strong Electron-Donating Ligands Accelerate the Protodeauration Step in Gold(I)-Catalyzed Reactions: A Quantitative Understanding of the Ligand Effect. Organometallics 35 (13), S. 2275 - 2285 (2016)

Bistoni, G.; Belpassi, L.; Tarantelli, F.: Advances in Charge Displacement Analysis. Journal of Chemical Theory and Computation 12 (3), S. 1236 - 1244 (2016)

Bistoni, G.; Rampino, S.; Scafuri, N.; Ciancaleoni, G.; Zuccaccia, D.; Belpassi, L.; Tarantelli, F.: How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes. Chemical Science 7 (2), S. 1174 - 1184 (2016)

Azzopardi, K. M.; Bistoni, G.; Ciancaleoni, G.; Tarantelli, F.; Zuccaccia, D.; Belpassi, L.: Quantitative assessment of the carbocation/carbene character of the gold–carbene bond. Dalton Transactions 44 (31), S. 13999 - 14007 (2015)

Gaggioli, C. A.; Ciancaleoni, G.; Biasiolo, L.; Bistoni, G.; Zuccaccia, D.; Belpassi, L.; Belanzoni, P.; Tarantelli, F.: Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes. Chemical Communications 51 (27), S. 5990 - 5993 (2015)

Biasiolo, L.; Ciancaleoni, G.; Belpassi, L.; Bistoni, G.; Macchioni, A.; Tarantelli, F.; Zuccaccia, D.: Relationship between the anion/cation relative orientation and the catalytic activity of nitrogen acyclic carbene–gold catalysts. Catalysis Science & Technology 5 (3), S. 1558 - 1567 (2015)

Bistoni, G.; Rampino, S.; Tarantelli, F.; Belpassi, L.: Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry. The Journal of Chemical Physics 142 (8), 084112 (2015)

Ciancaleoni, G.; Biasiolo, L.; Bistoni, G.; Macchioni, A.; Tarantelli, F.; Zuccaccia, D.; Belpassi, L.: Selectively Measuring π Back‐Donation in Gold(I) Complexes by NMR Spectroscopy. Chemistry – A European Journal 21 (6), S. 2467 - 2473 (2015)

Ciancaleoni, G.; Scafuri, N.; Bistoni, G.; Macchioni, A.; Tarantelli, F.; Zuccaccia, D.; Belpassi, L.: When the Tolman Electronic Parameter Fails: A Comparative DFT and Charge Displacement Study of [(L)Ni(CO)₃]^0/– and [(L)Au(CO)]^0/+. Inorganic Chemistry 53 (18), S. 9907 - 9916 (2014)

Marchione, D.; Belpassi, L.; Bistoni, G.; Macchioni, A.; Tarantelli, F.; Zuccaccia, D.: The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes. Organometallics 33 (16), S. 4200 - 4208 (2014)