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Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes 2011 Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco; Pirani, Fernando; Cappelletti, David Michele
Disentanglement of Donation and Back-Donation Effects on Experimental Observables: A Case Study of Gold-Ethyne Complexes 2013 Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco
NHC-Gold-Alkyne Complexes: Influence of the Carbene Backbone on the Ion Pair Structure 2013 Ciancaleoni, Gianluca; Biasiolo, L.; Bistoni, Giovanni; Macchioni, Alceo; Tarantelli, Francesco; Zuccaccia, Daniele; Belpassi, Leonardo
Disentanglement of donation and back-donation effects on experimental observables. A case study for gold-ethyne complexes 2013 Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco
The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes 2014 Marchione, Demian; Belpassi, Leonardo; Bistoni, Giovanni; Macchioni, Alceo; Tarantelli, Francesco; Zuccaccia, Daniele
When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+) 2014 Ciancaleoni, Gianluca; Scafuri, Nicola; Bistoni, Giovanni; Macchioni, Alceo; Tarantelli, Francesco; Zuccaccia, Daniele; Belpassi, Leonardo
Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy 2015 Ciancaleoni, Gianluca; Biasiolo, Luca; Bistoni, Giovanni; Macchioni, Alceo; Tarantelli, Francesco; Zuccaccia, Daniele; Belpassi, Leonardo
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 2015 Gaggioli, CARLO ALBERTO; Ciancaleoni, Gianluca; Biasiolo, Luca; Bistoni, Giovanni; Zuccaccia, Daniele; Belpassi, Leonardo; Belanzoni, Paola; Tarantelli, Francesco
Quantitative assessment of the carbocation/carbene character of the gold-carbene bond 2015 Azzopardi, Keith M; Bistoni, Giovanni; Ciancaleoni, Gianluca; Tarantelli, Francesco; Zuccaccia, Daniele; Belpassi, Leonardo
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry 2015 Bistoni, Giovanni; Rampino, Sergio; Tarantelli, Francesco; Belpassi, Leonardo
Relationship between the anion/cation relative orientation and the catalytic activity of nitrogen acyclic carbene–gold catalysts 2015 Biasiolo, Luca; Ciancaleoni, Gianluca; Belpassi, Leonardo; Bistoni, Giovanni; Macchioni, Alceo; Tarantelli, Francesco; Zuccaccia, Daniele
Charge transfer in beryllium bonds and cooperativity of beryllium and halogen bonds. A new perspective 2016 Lemishko, Kateryna M.; Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco; Montero Campillo, M. Merced; Yanez, Manuel
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes 2016 Bistoni, Giovanni; Rampino, Sergio; Scafuri, N.; Ciancaleoni, Gianluca; Zuccaccia, Daniele; Belpassi, Leonardo; Tarantelli, Francesco
π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis 2016 Bistoni, Giovanni; Belanzoni, Paola; Belpassi, Leonardo; Tarantelli, Francesco
Strong electron-donating ligands accelerate the protodeauration step in gold(I)-catalyzed reactions: a quantitative understanding of the ligand effect 2016 Gaggioli, CARLO ALBERTO; Ciancaleoni, Gianluca; Zuccaccia, Daniele; Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco; Belanzoni, Paola
Advances in Charge Displacement Analysis 2016 Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework 2016 Schneider, W. B.; Bistoni, G.; Sparta, M.; Saitow, M.; Riplinger, C.; 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 2017 Bistoni, G.; Auer, A. A.; Neese, F.
Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach 2017 Bistoni, G.; Riplinger, C.; Minenkov, Y.; Cavallo, L.; 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 2017 Minenkov, Y.; Bistoni, G.; Riplinger, C.; Auer, A. A.; Neese, F.; Cavallo, L.
Mostrati risultati da 1 a 20 di 71
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