BELPASSI, LEONARDO

BELPASSI, LEONARDO  

DIPARTIMENTO DI CHIMICA (attivo dal 01/11/1982 al 31/12/2013)  

Mostra records
Risultati 1 - 20 di 112 (tempo di esecuzione: 0.037 secondi).
Titolo Data di pubblicazione Autore(i) File
13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes 1-gen-2017 Marchione, Demian; Izquierdo, Maria A.; Bistoni, Giovanni; Havenith, Remco W. A.; Macchioni, Alceo; Zuccaccia, Daniele; Tarantelli, Francesco; Belpassi, Leonardo
A combined NMR/DFT study on the ion pair structure of [(PR12R2)Au([small eta]2-3-hexyne)]BF4 complexes 1-gen-2013 Ciancaleoni, Gianluca; Belpassi, Leonardo; Tarantelli, Francesco; Zuccaccia, Daniele; Macchioni, Alceo
A Phosphine Gold(I) pi-Alkyne Complex: Tuning Metal-Alkyne Bond Character and Counterion Position by the Choice of the Ancillary Ligand 1-gen-2010 Zuccaccia, Daniele; Belpassi, Leonardo; Rocchigiani, Luca; Tarantelli, Francesco; Macchioni, Alceo
A quantitative view of charge transfer in the hydrogen bond: the water dimer case 1-gen-2014 Ronca, Enrico; Belpassi, Leonardo; Tarantelli, Francesco
Advances in Charge Displacement Analysis 1-gen-2016 Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 1-gen-2019 Luca, Gregori; Sorbelli, Diego; Belpassi, Leonardo; Tarantelli, Francesco; Belanzoni, Paola
All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements 1-gen-2008 Belpassi, Leonardo; Tarantelli, Francesco; Sgamellotti, Antonio; H. M., Quiney
An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes 1-gen-2014 Ciancaleoni, Gianluca; Rampino, Sergio; Zuccaccia, D.; Tarantelli, Francesco; Belanzoni, Paola; Belpassi, Leonardo
An ab initio electronic density study of the CH4–Ar, CH4–Xe, CH4–H2O and CH4–H2S complexes: insights into the nature of the intermolecular interaction 1-gen-2015 Bartocci, Alessio; Frati, Federica; Roncaratti, Luiz F.; Cappelletti, David Michele; Tarantelli, Francesco; Belpassi, Leonardo; Pirani, Fernando
An efficient parallel all-electron 4-component Dirac-Kohn-Sham method using a distributed matrix approach 1-gen-2010 Storchi, Loriano; Belpassi, Leonardo; Tarantelli, Francesco; Sgamellotti, Antonio; H. M., Quiney
An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2 1-gen-2022 Sorbelli, Diego; Belanzoni, Paola; Belpassi, Leonardo; Lee, Ji-Woong; Ciancaleoni, Gianluca
An indirect approach to the determination of the nuclear quadrupole moment by 4-component relativistic DFT in molecular calculations 1-gen-2007 Belpassi, Leonardo; Tarantelli, Francesco; Sgamellotti, Antonio; A., Goetz; L., Visscher
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 1-gen-2015 Gaggioli, CARLO ALBERTO; Ciancaleoni, Gianluca; Biasiolo, Luca; Bistoni, Giovanni; Zuccaccia, Daniele; Belpassi, Leonardo; Belanzoni, Paola; Tarantelli, Francesco
Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases 1-gen-2015 Bartocci, Alessio; Belpassi, Leonardo; Cappelletti, David Michele; Falcinelli, Stefano; Grandinetti, Felice; Tarantelli, Francesco; Pirani, Fernando
Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects 1-gen-2019 Sorbelli, Diego; Nunes dos santos comprido, Laura; Knizia, Gerald; Hashmi, A. Stephen K.; Belpassi, Leonardo; Belanzoni, Paola; Klein, Johannes E. M. N.
Charge displacement analysis — A tool to theoretically characterize the charge transfer contribution of halogen bonds 1-gen-2020 Ciancaleoni, G.; Nunzi, F.; Belpassi, L.
Charge transfer energy in the water-hydrogen molecular aggregate probed by molecular-beam scattering experiments, charge displacement analysis, and ab-initio calculations 1-gen-2010 Belpassi, Leonardo; M. L., Reca; Tarantelli, Francesco; L. F., Roncaratti; Pirani, Fernando; Cappelletti, David Michele; A., Faure; Y., Scribano
Charge transfer in beryllium bonds and cooperativity of beryllium and halogen bonds. A new perspective 1-gen-2016 Lemishko, Kateryna M.; Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco; Montero Campillo, M. Merced; Yanez, Manuel
Charge-displacement analysis for excited states 1-gen-2014 Ronca, Enrico; Mariachiara, Pastore; Belpassi, Leonardo; DE ANGELIS, Filippo; Celestino, Angeli; Renzo, Cimiraglia; Tarantelli, Francesco
Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes 1-gen-2011 Bistoni, Giovanni; Belpassi, Leonardo; Tarantelli, Francesco; Pirani, Fernando; Cappelletti, David Michele