LEONARDO BELPASSI
- Type
- Persona (Classe)
- Label
- LEONARDO BELPASSI (literal)
- LEONARDO BELPASSI (literal)
- Http://www.w3.org/2002/07/owl#sameAs
- LEONARDO BELPASSI (Persona)
- Gestore di
- Persona in rapporto
- Employment relationship with CNR of DOTT. LEONARDO BELPASSI (Rapporto con CNR)
- Autore CNR di
- The Electronic Structure of Alkali Aurides. A Four-Component Dirac-Kohn-Sham Study (Articolo in rivista) (Prodotto della ricerca)
- Computational strategies based on electron density fitting in relativistic density functional theory (Articolo in rivista) (Prodotto della ricerca)
- Oligothiophenes nano-organised on a cyclotetrasiloxane scaffold as a model of a silica-bound monolayer: evidence for intramolecular excimer formation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Poisson-transformed density fitting in relativistic four-component Dirac-Kohn-Sham theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- 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 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States (Articolo in rivista) (Prodotto della ricerca)
- On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Molecular-beam study of the ammonia-noble gas systems: Characterization of the isotropic interaction and insights into the nature of the intermolecular potential (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- On the Dewar-Chatt-Duncanson model for Au(I) complexes with Nitrogen Heterocyclic Carbenes(NHC) (Abstract/Comunicazione in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1305)
- Chemical Characterization of Super-Heavy Elements by Relativistic Four-Component DFT (Contributo in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1301)
- The Nuclear Electric Quadrupole Moment of Gold (Altre pubblicazioni) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1717)
- CHED 300-Charge transfer studies on simple molecular adducts of water and ammonia (Abstract/Poster in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1302)
- An Efficient Parallel All-Electron Four-Component Dirac-Kohn-Sham Program Using a Distributed Matrix Approach (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Ion Pairing in Cationic Olefin-Gold(I) Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Experimental and theoretical evidence of charge transfer in weakly bound complexes of water (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Computational strategies for a four-component Dirac-Kohn-Sham program: Implementation and first applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- An ab Initio Benchmark and DFT Validation Study on Gold(I)-Catalyzed Hydroamination of Alkynes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Efficient Parallel All-Electron Four-Component Dirac-Kohn Sham Program Using a Distributed Matrix Approach II (Articolo in rivista) (Prodotto della ricerca)
- The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes (Articolo in rivista) (Prodotto della ricerca)
- A combined NMR/DFT study on the ion pair structure of [((PR2R2)-R-1)Au(eta(2)-3-hexyne)]BF4 complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- NHC-Gold-Alkyne Complexes: Influence of the Carbene Backbone on the Ion Pair Structure (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Intermolecular Interaction in the NH3-H-2 and H2O-H-2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Disentanglement of Donation and Back-Donation Effects on Experimental Observables: A Case Study of Gold-Ethyne Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Ligand Effects on Bonding and Ion Pairing in Cationic Gold(I) Catalysts Bearing Unsaturated Hydrocarbons (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Intermolecular Interaction in the H2S-H-2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Charge-displacement analysis for excited states (Articolo in rivista) (Prodotto della ricerca)
- Ion pairing in NHC gold(I) olefin complexes: A combined experimental/theoretical study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A Phosphine Gold(I) pi-Alkyne Complex: Tuning the Metal-Alkyne Bond Character and Counterion Position by the Choice of the Ancillary Ligand (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- An indirect approach to the determination of the nuclear quadrupole moment by four-component relativistic DFT in molecular calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Electron density fitting for the Coulomb problem in relativistic density-functional theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Parallelization of relativistic DFT (Altre pubblicazioni) (Prodotto della ricerca)
- A combined NMR/DFT study on the ion pair structure of [(PR12R2)Au(?2-3-hexyne)]BF4 complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nature and Stability of Weak Halogen Bonds in the Gas Phase: Molecular Beam Scattering Experiments and Ab Initio Charge Displacement Calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- The nuclear electric quadrupole moment of gold (Articolo in rivista) (Prodotto della ricerca)
- Linear gold(I) complexes: A systematic NMR/DFT study on the ligand effect on the structure of the ion pair in solution (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Parallelization of a relativistic DFT code (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Coautore
- FRANCESCO TARANTELLI (Unità di personale esterno)
- Giovanni Bistoni (Persona)
- ALESSIO ORBELLI BIROLI (Persona)
- DANIELE ZUCCACCIA (Unità di personale esterno)
- ANTONIO SGAMELLOTTI (Unità di personale esterno)
- GIANLUCA CIANCALEONI (Persona)
- Enrico Ronca (Persona)
- MARIACHIARA PASTORE (Unità di personale esterno)
- FILIPPO DE ANGELIS (Persona)
- WOJCIECH MROZ (Unità di personale esterno)
- CHIARA BOTTA (Persona)
- Nome
- LEONARDO (literal)
- Cognome
- BELPASSI (literal)
- Afferisce a
Incoming links:
- Autore CNR
- Computational strategies based on electron density fitting in relativistic density functional theory (Articolo in rivista) (Prodotto della ricerca)
- The Electronic Structure of Alkali Aurides. A Four-Component Dirac-Kohn-Sham Study (Articolo in rivista) (Prodotto della ricerca)
- Parallelization of a relativistic DFT code (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- The nuclear electric quadrupole moment of gold (Articolo in rivista) (Prodotto della ricerca)
- Poisson-transformed density fitting in relativistic four-component Dirac-Kohn-Sham theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- 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 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Computational strategies for a four-component Dirac-Kohn-Sham program: Implementation and first applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Ion Pairing in Cationic Olefin-Gold(I) Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Experimental and theoretical evidence of charge transfer in weakly bound complexes of water (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- CHED 300-Charge transfer studies on simple molecular adducts of water and ammonia (Abstract/Poster in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1302)
- An Efficient Parallel All-Electron Four-Component Dirac-Kohn-Sham Program Using a Distributed Matrix Approach (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Molecular-beam study of the ammonia-noble gas systems: Characterization of the isotropic interaction and insights into the nature of the intermolecular potential (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Chemical Characterization of Super-Heavy Elements by Relativistic Four-Component DFT (Contributo in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1301)
- The Nuclear Electric Quadrupole Moment of Gold (Altre pubblicazioni) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1717)
- On the Dewar-Chatt-Duncanson model for Au(I) complexes with Nitrogen Heterocyclic Carbenes(NHC) (Abstract/Comunicazione in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1305)
- Electron density fitting for the Coulomb problem in relativistic density-functional theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- An indirect approach to the determination of the nuclear quadrupole moment by four-component relativistic DFT in molecular calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A Phosphine Gold(I) pi-Alkyne Complex: Tuning the Metal-Alkyne Bond Character and Counterion Position by the Choice of the Ancillary Ligand (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Ion pairing in NHC gold(I) olefin complexes: A combined experimental/theoretical study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nature and Stability of Weak Halogen Bonds in the Gas Phase: Molecular Beam Scattering Experiments and Ab Initio Charge Displacement Calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A combined NMR/DFT study on the ion pair structure of [(PR12R2)Au(?2-3-hexyne)]BF4 complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Parallelization of relativistic DFT (Altre pubblicazioni) (Prodotto della ricerca)
- Oligothiophenes nano-organised on a cyclotetrasiloxane scaffold as a model of a silica-bound monolayer: evidence for intramolecular excimer formation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes (Articolo in rivista) (Prodotto della ricerca)
- An ab Initio Benchmark and DFT Validation Study on Gold(I)-Catalyzed Hydroamination of Alkynes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Efficient Parallel All-Electron Four-Component Dirac-Kohn Sham Program Using a Distributed Matrix Approach II (Articolo in rivista) (Prodotto della ricerca)
- Intermolecular Interaction in the NH3-H-2 and H2O-H-2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- NHC-Gold-Alkyne Complexes: Influence of the Carbene Backbone on the Ion Pair Structure (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A combined NMR/DFT study on the ion pair structure of [((PR2R2)-R-1)Au(eta(2)-3-hexyne)]BF4 complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Charge-displacement analysis for excited states (Articolo in rivista) (Prodotto della ricerca)
- Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States (Articolo in rivista) (Prodotto della ricerca)
- Intermolecular Interaction in the H2S-H-2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Disentanglement of Donation and Back-Donation Effects on Experimental Observables: A Case Study of Gold-Ethyne Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Ligand Effects on Bonding and Ion Pairing in Cationic Gold(I) Catalysts Bearing Unsaturated Hydrocarbons (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Linear gold(I) complexes: A systematic NMR/DFT study on the ligand effect on the structure of the ion pair in solution (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Ha afferente
- Coautore
- CHIARA BOTTA (Persona)
- FILIPPO DE ANGELIS (Persona)
- ANTONIO SGAMELLOTTI (Unità di personale esterno)
- DANIELE ZUCCACCIA (Unità di personale esterno)
- Enrico Ronca (Persona)
- Giovanni Bistoni (Persona)
- GIANLUCA CIANCALEONI (Persona)
- MARIACHIARA PASTORE (Unità di personale esterno)
- WOJCIECH MROZ (Unità di personale esterno)
- FRANCESCO TARANTELLI (Unità di personale esterno)
- http://www.cnr.it/ontology/cnr/individuo/unitaDiPersonaleEsterno/ID23065
- ALESSIO ORBELLI BIROLI (Persona)
- Rapporto con persona
- Employment relationship with CNR of DOTT. LEONARDO BELPASSI (Rapporto con CNR)
- Gestore
