Sfoglia per Autore
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
Disentanglement of donation and back-donation effects on experimental observables. A case study for 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
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
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-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry
2015 Bistoni, Giovanni; Rampino, Sergio; Tarantelli, Francesco; 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
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
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
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.
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
π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis
2016 Bistoni, Giovanni; Belanzoni, Paola; Belpassi, Leonardo; Tarantelli, Francesco
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
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
Advances in Charge Displacement Analysis
2016 Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco
Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process
2017 Auer, A. A.; Bistoni, G.; Kitschke, P.; Mehring, M.; Ebert, T.; Spange, S.
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.
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.
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
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 | |
Disentanglement of donation and back-donation effects on experimental observables. A case study for 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 | |
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 | |
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-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry | 2015 | Bistoni, Giovanni; Rampino, Sergio; Tarantelli, Francesco; 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 | |
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 | |
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 | |
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. | |
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 | |
π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis | 2016 | Bistoni, Giovanni; Belanzoni, Paola; Belpassi, Leonardo; Tarantelli, Francesco | |
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 | |
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 | |
Advances in Charge Displacement Analysis | 2016 | Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco | |
Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process | 2017 | Auer, A. A.; Bistoni, G.; Kitschke, P.; Mehring, M.; Ebert, T.; Spange, S. | |
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. | |
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. |
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