Giovanni Bistoni
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Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster framework
WB Schneider, G Bistoni, M Sparta, M Saitow, C Riplinger, AA Auer, ...
Journal of Chemical Theory and Computation, 2016
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes
G Bistoni, S Rampino, N Scafuri, G Ciancaleoni, D Zuccaccia, L Belpassi, ...
Chemical science 7 (2), 1174-1184, 2016
The chemical bond in gold (I) complexes with N-heterocyclic carbenes
D Marchione, L Belpassi, G Bistoni, A Macchioni, F Tarantelli, ...
Organometallics 33 (16), 4200-4208, 2014
Understanding the role of dispersion in Frustrated Lewis Pairs and classical Lewis adducts: a Domain Based Local Pair Natural Orbital Coupled Cluster study
G Bistoni, AA Alexander, F Neese
Chemistry-A European Journal, 2016
When the Tolman Electronic Parameter Fails: A Comparative DFT and Charge Displacement Study of [(L)Ni(CO)3]0/– and [(L)Au(CO)]0/+
G Ciancaleoni, N Scafuri, G Bistoni, A Macchioni, F Tarantelli, ...
Inorganic chemistry 53 (18), 9907-9916, 2014
Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers
F Neese, M Atanasov, G Bistoni, D Maganas, S Ye
Journal of the American Chemical Society 141 (7), 2814-2824, 2019
NHC-gold-alkyne complexes: Influence of the carbene backbone on the ion pair structure
G Ciancaleoni, L Biasiolo, G Bistoni, A Macchioni, F Tarantelli, ...
Organometallics 32 (15), 4444-4447, 2013
Disentanglement of donation and back‐donation effects on experimental observables: A case study of gold–ethyne complexes
G Bistoni, L Belpassi, F Tarantelli
Angewandte Chemie International Edition 52 (44), 11599-11602, 2013
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry
G Bistoni, S Rampino, F Tarantelli, L Belpassi
The Journal of chemical physics 142 (8), 084112, 2015
Selectively Measuring π Back‐Donation in Gold (I) Complexes by NMR Spectroscopy
G Ciancaleoni, L Biasiolo, G Bistoni, A Macchioni, F Tarantelli, ...
Chemistry–A European Journal 21 (6), 2467-2473, 2015
Effect of electron correlation on intermolecular interactions: A pair natural orbitals coupled cluster based local energy decomposition study
A Altun, F Neese, G Bistoni
Journal of chemical theory and computation 15 (1), 215-228, 2018
Local energy decomposition of open-shell molecular systems in the domain-based local pair natural orbital coupled cluster framework
A Altun, M Saitow, F Neese, G Bistoni
Journal of chemical theory and computation 15 (3), 1616-1632, 2019
Formation of agostic structures driven by London dispersion
Q Lu, F Neese, G Bistoni
Angewandte Chemie International Edition 57 (17), 4760-4764, 2018
π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis
G Bistoni, P Belanzoni, L Belpassi, F Tarantelli
The Journal of Physical Chemistry A, 2016
¹³C NMR of N‐heterocyclic Carbenes can selectively probe σ donation in Gold (I) complexes
D Marchione, M Izquierdo, G Bistoni, RWA Havenith, D Zuccaccia, ...
Chemistry-A European Journal, 2017
Strong Electron-Donating Ligands Accelerate the Protodeauration Step in Gold (I)-Catalyzed Reactions: A Quantitative Understanding of the Ligand Effect
PB Carlo Alberto Gaggioli, Gianluca Ciancaleoni, Daniele Zuccaccia, Giovanni ...
Organometallics, 2016
The furan microsolvation blind challenge for quantum chemical methods: First steps
HC Gottschalk, A Poblotzki, MA Suhm, MM Al-Mogren, J Antony, AA Auer, ...
The Journal of chemical physics 148 (1), 014301, 2018
Modulating the bonding properties of N‐heterocyclic carbenes (NHCs): a systematic charge‐displacement analysis
P Belanzoni, CA Gaggioli, G Bistoni, G Ciancaleoni, F Tarantelli, ...
Chemistry-A European Journal, 2017
Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation
Y Minenkov, G Bistoni, C Riplinger, AA Auer, F Neese, L Cavallo
Physical Chemistry Chemical Physics 19 (14), 9374-9391, 2017
Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study
A Altun, F Neese, G Bistoni
Beilstein journal of organic chemistry 14 (1), 919-929, 2018
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