Belpassi, L. : rechercher sur Z-Library

International Review of Education

Année:

2020

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2020

Lifelong Education || Le conte africain: L'univers de l'oralité dans le système de l'enseignement

Paola Belpassi

Journal:

Année:

1994

Fichier:

PDF, 1.52 MB

1994

Le conte Africain: L'univers de l'oralite dans le systeme de l'enseignement

Paola Belpassi

Journal:

International Review of Education

Année:

1994

Fichier:

PDF, 946 KB

1994

The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes

Marchione, Demian, Belpassi, Leonardo, Bistoni, Giovanni, Macchioni, Alceo, Tarantelli, Francesco, Zuccaccia, Daniele

Journal:

Organometallics

Année:

2014

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2014

Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States

Ronca, Enrico, Angeli, Celestino, Belpassi, Leonardo, De Angelis, Filippo, Tarantelli, Francesco, Pastore, Mariachiara

Journal:

Bistoni, Giovanni, Rampino, Sergio, Scafuri, Nicola, Ciancaleoni, Gianluca, Zuccaccia, Daniele, Belpassi, Leonardo, Tarantelli, Francesco

Année:

2014

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2014

How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes

Journal:

Chemical Science

Année:

2016

Langue:

english

Fichier:

PDF, 1.30 MB

english, 2016

Hydration and Alkoxylation of Alkynes Catalyzed by NHC-Au-OTf

Gatto, Mattia, Baratta, Walter, Belanzoni, Paola, Belpassi, Leonardo, del zotto, alessandro, Tarantelli, Francesco, ZUCCACCIA, Daniele

Journal:

Green Chemistry

Année:

2018

Langue:

english

Fichier:

PDF, 1.84 MB

english, 2018

Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N-Heterocyclic Carbene Complexes

Izquierdo, Maria A., Tarantelli, Francesco, Broer, Ria, Bistoni, Giovanni, Belpassi, Leonardo, Havenith, Remco W. A.

Journal:

European Journal of Inorganic Chemistry

Année:

2020

Langue:

english

Fichier:

PDF, 1.35 MB

english, 2020

Oligothiophenes Nano-organized on a Cyclotetrasiloxane Scaffold as a Model of a Silica-Bound Monolayer: Evidence for Intramolecular Excimer Formation

Wojciech Mróz, Jean Philippe Bombenger, Chiara Botta, Alessio Orbelli Biroli, Maddalena Pizzotti, Filippo De Angelis, Leonardo Belpassi, Riccardo Tubino, Francesco Meinardi

Journal:

Nicola Salvi, Leonardo Belpassi, Francesco Tarantelli

Année:

2009

Langue:

english

Fichier:

PDF, 338 KB

english, 2009

On the Dewar–Chatt–Duncanson Model for Catalytic Gold(I) Complexes

Journal:

Edoardo Mosconi, Filippo De Angelis, Leonardo Belpassi, Francesco Tarantelli, Sergio Alunni

Année:

2010

Langue:

english

Fichier:

PDF, 651 KB

english, 2010

Merging of E2 and E1cb Reaction Mechanisms: A Combined Theoretical and Experimental Study

Journal:

European Journal of Organic Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 631 KB

english, 2009

An indirect approach to the determination of the nuclear quadrupole moment by four-component relativistic DFT in molecular calculations

Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, Andreas W. Götz, Lucas Visscher

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 125 KB

english, 2007

Ion pairing in NHC gold(I) olefin complexes: A combined experimental/theoretical study

Nicola Salvi, Leonardo Belpassi, Daniele Zuccaccia, Francesco Tarantelli, Alceo Macchioni

Journal:

Journal of Organometallic Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 773 KB

english, 2010

DFT studies of β-elimination reactions in water solution with different bases: Theory vs experiment

Edoardo Mosconi, Filippo De Angelis, Leonardo Belpassi, Francesco Tarantelli, Sergio Alunni

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2010

Langue:

english

Fichier:

PDF, 2.20 MB

english, 2010

Parallelization of a relativistic DFT code

Leonardo Belpassi, Loriano Storchi, Francesco Tarantelli, Antonio Sgamellotti, Harry M. Quiney

Journal:

Future Generation Computer Systems

Année:

2004

Langue:

english

Fichier:

PDF, 140 KB

english, 2004

Spectroscopic properties of cyclometallated iridium complexes by TDDFT

Filippo De Angelis, Leonardo Belpassi, Simona Fantacci

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2009

Langue:

english

Fichier:

PDF, 993 KB

english, 2009

On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules

F. Pirani, P. Candori, M.S. Pedrosa Mundim, L. Belpassi, F. Tarantelli, D. Cappelletti

Journal:

Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 693 KB

english, 2012

Nature and Stability of Weak Halogen Bonds in the Gas Phase: Molecular Beam Scattering Experiments and Ab Initio Charge Displacement Calculations

Cappelletti, David, Candori, Pietro, Pirani, Fernando, Belpassi, Leonardo, Tarantelli, Francesco

Journal:

Crystal Growth & Design

Année:

2011

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2011

Charge-Transfer Energy in the Water−Hydrogen Molecular Aggregate Revealed by Molecular-Beam Scattering Experiments, Charge Displacement Analysis, and ab Initio Calculations

Belpassi, Leonardo, Reca, Michael L., Tarantelli, Francesco, Roncaratti, Luiz F., Pirani, Fernando, Cappelletti, David, Faure, Alexandre, Scribano, Yohann

Journal:

Journal of the American Chemical Society

Année:

2010

Langue:

english

Fichier:

PDF, 2.04 MB

english, 2010

Ligand Effects on Bonding and Ion Pairing in Cationic Gold(I) Catalysts Bearing Unsaturated Hydrocarbons

Zuccaccia, Daniele, Belpassi, Leonardo, Macchioni, Alceo, Tarantelli, Francesco

Journal:

European Journal of Inorganic Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 1.89 MB

english, 2013

NHC-Gold-Alkyne Complexes: Influence of the Carbene Backbone on the Ion Pair Structure

Ciancaleoni, Gianluca, Biasiolo, Luca, Bistoni, Giovanni, Macchioni, Alceo, Tarantelli, Francesco, Zuccaccia, Daniele, Belpassi, Leonardo

Journal:

Organometallics

Année:

2013

Langue:

english

Fichier:

PDF, 761 KB

english, 2013

Disentanglement of Donation and Back-Donation Effects on Experimental Observables: A Case Study of Gold-Ethyne Complexes

Bistoni, Giovanni, Belpassi, Leonardo, Tarantelli, Francesco

Journal:

Angewandte Chemie International Edition

Année:

2013

Langue:

english

Fichier:

PDF, 626 KB

english, 2013

The Chemical Bond between Au(I) and the Noble Gases. Comparative Study of NgAuF and NgAu + (Ng = Ar, Kr, Xe) by Density Functional and Coupled Cluster Methods

Belpassi, Leonardo, Infante, Ivan, Tarantelli, Francesco, Visscher, Lucas

Journal:

Journal of the American Chemical Society

Année:

2008

Langue:

english

Fichier:

PDF, 275 KB

english, 2008

A Quantitative View of Charge Transfer in the Hydrogen Bond: The Water Dimer Case

Ronca, Enrico, Belpassi, Leonardo, Tarantelli, Francesco

Journal:

ChemPhysChem

Année:

2014

Langue:

english

Fichier:

PDF, 547 KB

english, 2014

An ab Initio Benchmark and DFT Validation Study on Gold(I)-Catalyzed Hydroamination of Alkynes

Ciancaleoni, Gianluca, Rampino, Sergio, Zuccaccia, Daniele, Tarantelli, Francesco, Belanzoni, Paola, Belpassi, Leonardo

Journal:

Storchi, Loriano, Belpassi, Leonardo, Tarantelli, Francesco, Sgamellotti, Antonio, Quiney, Harry M.

Année:

2014

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2014

An Efficient Parallel All-Electron Four-Component Dirac−Kohn−Sham Program Using a Distributed Matrix Approach

Journal:

Pirani, Fernando, Cappelletti, David, Belpassi, Leonardo, Tarantelli, Francesco

Année:

2010

Langue:

english

Fichier:

PDF, 2.13 MB

english, 2010

Intermolecular Interaction in the NH 3 –H 2 and H 2 O–H 2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer

Journal:

Rampino, Sergio, Belpassi, Leonardo, Tarantelli, Francesco, Storchi, Loriano

Année:

2013

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2013

Full Parallel Implementation of an All-Electron Four-Component Dirac–Kohn–Sham Program

Journal:

Belpassi, Leonardo, Tarantelli, Francesco, Sgamellotti, Antonio, Quiney, Harry M.

Année:

2014

Langue:

english

Fichier:

PDF, 1.32 MB

english, 2014

The Electronic Structure of Alkali Aurides. A Four-Component Dirac−Kohn−Sham Study

Journal:

Storchi, Loriano, Rampino, Sergio, Belpassi, Leonardo, Tarantelli, Francesco, Quiney, Harry M.

Année:

2006

Langue:

english

Fichier:

PDF, 257 KB

english, 2006

Efficient Parallel All-Electron Four-Component Dirac–Kohn–Sham Program Using a Distributed Matrix Approach II

Journal:

Biasiolo, Luca, Trinchillo, Marina, Belanzoni, Paola, Belpassi, Leonardo, Busico, Vincenzo, Ciancaleoni, Gianluca, D'Amora, Angela, Macchioni, Alceo, Tarantelli, Francesco, Zuccaccia, Daniele

Année:

2013

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2013

Unexpected Anion Effect in the Alkoxylation of Alkynes Catalyzed by N-Heterocyclic Carbene (NHC) Cationic Gold Complexes

Journal:

Bistoni, Giovanni, Belpassi, Leonardo, Tarantelli, Francesco, Pirani, Fernando, Cappelletti, David

Année:

2014

Langue:

english

Fichier:

PDF, 434 KB

english, 2014

Charge-Displacement Analysis of the Interaction in the Ammonia–Noble Gas Complexes

Journal:

Ciancaleoni, Gianluca, Scafuri, Nicola, Bistoni, Giovanni, Macchioni, Alceo, Tarantelli, Francesco, Zuccaccia, Daniele, Belpassi, Leonardo

Année:

2011

Langue:

english

Fichier:

PDF, 2.55 MB

english, 2011

When the Tolman Electronic Parameter Fails: A Comparative DFT and Charge Displacement Study of [(L)Ni(CO) 3 ] 0/– and [(L)Au(CO)] 0/+

Journal:

Inorganic Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 1.48 MB

english, 2014

A Phosphine Gold(I) π-Alkyne Complex: Tuning the Metal−Alkyne Bond Character and Counterion Position by the Choice of the Ancillary Ligand

Zuccaccia, Daniele, Belpassi, Leonardo, Rocchigiani, Luca, Tarantelli, Francesco, Macchioni, Alceo

Journal:

Inorganic Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 1.02 MB

english, 2010

Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry

Cappelletti, David, Ronca, Enrico, Belpassi, Leonardo, Tarantelli, Francesco, Pirani, Fernando

Journal:

Accounts of Chemical Research

Année:

2012

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2012

Intermolecular Interaction in the H 2 S–H 2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations

Bartocci, Alessio, Cappelletti, David, Pirani, Fernando, Tarantelli, Francesco, Belpassi, Leonardo

Journal:

Zuccaccia, Daniele, Belpassi, Leonardo, Tarantelli, Francesco, Macchioni, Alceo

Année:

2014

Langue:

english

Fichier:

PDF, 1.81 MB

english, 2014

Ion Pairing in Cationic Olefin−Gold(I) Complexes

Journal:

Journal of the American Chemical Society

Année:

2009

Langue:

english

Fichier:

PDF, 352 KB

english, 2009

Experimental and theoretical evidence of charge transfer in weakly bound complexes of water

Belpassi, Leonardo, Tarantelli, Francesco, Pirani, Fernando, Candori, Pietro, Cappelletti, David

Journal:

Physical Chemistry Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2009

Recent advances and perspectives in four-component Dirac–Kohn–Sham calculations

Belpassi, Leonardo, Storchi, Loriano, Quiney, Harry M., Tarantelli, Francesco

Journal:

Physical Chemistry Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 3.46 MB

english, 2011

Computational strategies for a four-component Dirac–Kohn–Sham program: Implementation and first applications

Belpassi, Leonardo, Tarantelli, Francesco, Sgamellotti, Antonio, Quiney, Harry M.

Journal:

Catalysis Science & Technology

Année:

2005

Langue:

english

Fichier:

PDF, 397 KB

english, 2005

Relationship between the anion/cation relative orientation and the catalytic activity of nitrogen acyclic carbene–gold catalysts

Biasiolo, L., Ciancaleoni, G., Belpassi, L., Bistoni, G., Macchioni, A., Tarantelli, F., Zuccaccia, D.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1.51 MB

english, 2015

Electron density fitting for the Coulomb problem in relativistic density-functional theory

Belpassi, Leonardo, Tarantelli, Francesco, Sgamellotti, Antonio, Quiney, Harry M.

Journal:

Belpassi, Leonardo, Tarantelli, Francesco, Sgamellotti, Antonio, Quiney, Harry M.

Année:

2006

Langue:

english

Fichier:

PDF, 348 KB

english, 2006

All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements

Journal:

Physical Review B

Année:

2008

Langue:

english

Fichier:

PDF, 72 KB

english, 2008

Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment

Ciancaleoni, Gianluca, Belpassi, Leonardo, Zuccaccia, Daniele, Tarantelli, Francesco, Belanzoni, Paola

Journal:

ACS Catalysis

Année:

2015

Langue:

english

Fichier:

PDF, 4.76 MB

english, 2015

Anomalous ligand effect in gold( i )-catalyzed intramolecular hydroamination of alkynes

Gaggioli, Carlo Alberto, Ciancaleoni, Gianluca, Biasiolo, Luca, Bistoni, Giovanni, Zuccaccia, Daniele, Belpassi, Leonardo, Belanzoni, Paola, Tarantelli, Francesco

Journal:

Chemical Communications

Année:

2015

Langue:

english

Fichier:

PDF, 1.05 MB

english, 2015

Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules

Cappelletti, David, Bartocci, Alessio, Grandinetti, Felice, Falcinelli, Stefano, Belpassi, Leonardo, Tarantelli, Francesco, Pirani, Fernando

Journal:

Belpassi, Leonardo, Tarantelli, Francesco, Sgamellotti, Antonio, Quiney, Harry M.

Année:

2015

Langue:

english

Fichier:

PDF, 594 KB

english, 2015

Poisson-transformed density fitting in relativistic four-component Dirac–Kohn–Sham theory

Journal:

Bistoni, Giovanni, Rampino, Sergio, Tarantelli, Francesco, Belpassi, Leonardo

Année:

2008

Langue:

english

Fichier:

PDF, 806 KB

english, 2008

Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry

Journal: