IRIS - Res&Arch Institutional Research Information System - Research & Archive

BELPASSI, LEONARDO
 Distribuzione geografica
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Continente #
NA - Nord America 2.373
EU - Europa 1.645
AS - Asia 685
SA - Sud America 4
Continente sconosciuto - Info sul continente non disponibili 3
Totale 4.710
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Nazione #
US - Stati Uniti d'America 2.367
IE - Irlanda 505
IT - Italia 409
HK - Hong Kong 262
UA - Ucraina 194
SE - Svezia 163
SG - Singapore 148
CN - Cina 115
VN - Vietnam 112
RU - Federazione Russa 103
FI - Finlandia 91
DE - Germania 62
GB - Regno Unito 36
FR - Francia 22
KR - Corea 18
BE - Belgio 14
CH - Svizzera 14
TR - Turchia 12
AT - Austria 10
UZ - Uzbekistan 9
NL - Olanda 6
GR - Grecia 5
LB - Libano 5
CA - Canada 3
EU - Europa 3
MX - Messico 3
PL - Polonia 3
RO - Romania 3
BR - Brasile 2
CL - Cile 2
CZ - Repubblica Ceca 2
ID - Indonesia 2
IR - Iran 2
NO - Norvegia 2
ES - Italia 1
Totale 4.710
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Città #
Dublin 505
Chandler 481
Hong Kong 262
San Mateo 231
Boardman 163
Perugia 148
Altamura 116
Jacksonville 114
Dong Ket 112
Wilmington 110
Medford 109
Princeton 109
Lawrence 101
Singapore 90
Ann Arbor 71
Andover 66
Redmond 61
Beijing 50
Des Moines 39
Saint Petersburg 29
Falls Church 26
Norwalk 21
San Paolo di Civitate 21
Brussels 14
Helsinki 14
Los Angeles 14
Seoul 14
Izmir 12
Bologna 11
Woodbridge 11
Redwood City 10
Ashburn 9
Dallas 8
Moscow 8
Chicago 6
Milan 6
New York 6
Santa Clara 6
Den Haag 5
Hebei 5
Houston 5
Lappeenranta 4
Ludwigshafen 4
Padova 4
Rome 4
Tappahannock 4
Fairfield 3
Frankfurt Am Main 3
Hanover 3
Pisa 3
San Giuliano Terme 3
Seattle 3
Udine 3
Ariccia 2
Assisi 2
Cambridge 2
Città Di Castello 2
Duncan 2
Esslingen am Neckar 2
Fiumicino 2
Gualdo Tadino 2
Isfahan 2
Kiev 2
Lausanne 2
Mcallen 2
Montréal 2
Nagold 2
Olomouc 2
Philadelphia 2
Torgiano 2
Atlanta 1
Auburn Hills 1
Baotou 1
Changsha 1
Clearwater 1
Cologne 1
Edinburgh 1
Foligno 1
Frankfurt am Main 1
Fremont 1
Garden City 1
Genova 1
Groningen 1
Guangzhou 1
Halle 1
Hunedoara 1
La Canada Flintridge 1
Las Vegas 1
London 1
Maser 1
Nanjing 1
Novosibirsk 1
Nuremberg 1
Oakland 1
Paris 1
Piraeus 1
Ponte 1
Radeberg 1
Riva 1
Saint Paul 1
Totale 3.304
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Nome #
Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects 118
Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules 103
Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment 100
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 99
Weak Halogen Bond in Gas-Phase Systems: Molecular Beam Scattering Experiments and Ab-Initio Calculations 99
Molecular-beam study of the ammonia–noble gas systems: Characterization of the isotropic interaction and insights into the nature of the intermolecular potential 97
13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes 87
Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy 83
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 80
Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis 74
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry 67
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis 63
Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry 60
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond 59
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 59
Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects 58
Intermolecular Interaction in the H2S–H2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations 56
Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases 56
Revealing Charge Transfer in Gas-Phase: Systems with Halogen and Hydrogen Bonds 55
Advances in Charge Displacement Analysis 55
Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems 55
All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements 53
Charge transfer energy in the water-hydrogen molecular aggregate probed by molecular-beam scattering experiments, charge displacement analysis, and ab-initio calculations 53
Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations 52
An efficient parallel all-electron 4-component Dirac-Kohn-Sham method using a distributed matrix approach 51
Merging of E2 and E1cb reaction mechanisms: a combined theoretical and experimental study 50
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes 50
Dioxygen insertion into the gold(I)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition 50
Spin‐forbidden reactivity of transition metal‐oxo species: exploring the potential energy surfaces 50
When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+) 50
On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules 49
Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes 49
Charge-displacement analysis for excited states 49
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled 48
Fluorescent signal transduction in a self-assembled Hg2+ chemosensor tuned by various interactions in micellar aqueous environment 48
The nature of the lead-iodine bond in PbI2: A case study for the modelling of lead halide perovskites 48
Chemical Characterization of Super-Heavy Elements by Four-Component DFT 47
A quantitative view of charge transfer in the hydrogen bond: the water dimer case 47
Strong electron-donating ligands accelerate the protodeauration step in gold(I)-catalyzed reactions: a quantitative understanding of the ligand effect 47
Solvent-, Silver-, and Acid-Free NHC-Au-X Catalyzed Hydration of Alkynes. The Pivotal Role of the Counterion 47
Disentanglement of donation and back-donation effects on experimental observables. A case study for gold-ethyne complexes 46
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 46
Parallelization of a relativistic DFT code 46
A Phosphine Gold(I) pi-Alkyne Complex: Tuning Metal-Alkyne Bond Character and Counterion Position by the Choice of the Ancillary Ligand 45
The ligand effect on the oxidative addition of dioxygen to gold(I)–hydride complexes 45
Spin–orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine 45
Leading interaction components in the structure and reactivity of noble gases compounds 45
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 44
The Role of Electronic Distribution and Charge Trasfer in Weak Halogen Bond by Molecular Beam Scattering Experiments and Ab-initio Calculations 44
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation 44
Full Parallel Implementation of an All-Electron Four-Component Dirac–Kohn–Sham Program 44
Ground and excited electronic states of AuH2 via detachment energies on AuH2− using state-of-the-art relativistic calculations 44
An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes 44
On the Dewar-Chatt-Duncanson model for catalytic gold(I) complexes 43
Nature and Stability of Weak Halogen Bonds in the Gas Phase: Molecular Beam Scattering Experiments and Ab Initio Charge Displacement Calculations 43
The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes 43
Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory 43
Charge transfer in beryllium bonds and cooperativity of beryllium and halogen bonds. A new perspective 42
The gold(III)–CO bond: a missing piece in the gold carbonyl complex landscape 42
Cyclization of 2-Alkynyldimethylaniline on Gold(I) Cationic and Neutral Complexes 42
Ligand Effect on Bonding in Gold(III) Carbonyl Complexes 42
A combined NMR/DFT study on the ion pair structure of [(PR12R2)Au([small eta]2-3-hexyne)]BF4 complexes 42
The mechanism of the gold(I)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-ol via 4-endo-dig cyclization 42
H2O-CH4 and H2S-CH4 complexes: a direct comparison through molecular beam experiments and ab initio calculations 41
Unraveling the Anion/Ligand Interplay in the Reaction Mechanism of Gold(I)-Catalyzed Alkoxylation of Alkynes 41
An indirect approach to the determination of the nuclear quadrupole moment by 4-component relativistic DFT in molecular calculations 40
Role of Ion Pairing in the Mechanisms of Au(I)-catalysed Reactions: Theory and Experiment 40
Efficient parallel all-electron 4-component Dirac-Kohn-Sham program using a distributed matrix approach. II 40
Nuclear electric quadrupole moment of gold 39
Hydration and alkoxylation of alkynes catalyzed by NHC–Au–OTf 39
Charge displacement analysis — A tool to theoretically characterize the charge transfer contribution of halogen bonds 39
Experimental and theoretical evidence of charge transfer in weakly bound complexes of water 38
Intermolecular Interaction in the NH3−H2 and H2O−H2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer 38
Diffusion NMR measurements on cationic linear gold(I) complexes 38
Turn-off and -on fluorescence switching of a self-assembled sensor for mercury(II) induced by anionic micelles 38
Computational strategies based on electron density fitting in relativistic Density Functional Theory 37
The nuclear electric quadrupole moment of gold 37
Extensive Experimental and Computational Study of Counterion Effect in the Reaction Mechanism of NHC-Gold(I)-Catalyzed Alkoxylation of Alkynes 37
Electron density fitting for the Coulomb problem in relativistic density functional theory 35
Molecular-beam scattering experiments and theoretical calculations probing charge transfer in weakly bound complexes of water 35
Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations 35
Ligand Effects on Bonding and Ion Pairing in Cationic Gold(I) Catalysts Bearing Unsaturated Hydrocarbons 35
Ion pairing in NHC gold(I) olefin complexes: A combined experimental/theoretical study 35
Efficient Computation of Geometries for Gold Complexes 35
Computational strategies for a four-component Dirac-Kohn-Sham program: Implementation and first applications 34
Ion Pairing in Cationic Olefin-Gold(I) Complexes 33
Unexpected anion effect in the alkoxylation of alkynes catalyzed by N-Heterocyclic Carbene (NHC) cationic gold complexes 33
Relativistic quantum chemistry involving heavy atoms 33
Experimental and theoretical investigation of the cycloisomerization of N-propargylcarboxamide catalyzed by NHC-Au-X in green solvents 33
Relationship between the anion/cation relative orientation and the catalytic activity of nitrogen acyclic carbene–gold catalysts 31
NHC-Gold-Alkyne Complexes: Influence of the Carbene Backbone on the Ion Pair Structure 30
Quantitative assessment of the carbocation/carbene character of the gold-carbene bond 30
Tuning the Gold(I)-Carbon σ Bond in Gold-Alkynyl Complexes through Structural Modifications of the NHC Ancillary Ligand: Effect on Spectroscopic Observables and Reactivity 30
π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis 30
What Singles out Aluminyl Anions? A Comparative Computational Study of the Carbon Dioxide Insertion Reaction in Gold–Aluminyl, −Gallyl, and −Indyl Complexes 30
An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2 30
Disentanglement of Donation and Back-Donation Effects on Experimental Observables: A Case Study of Gold-Ethyne Complexes 30
Fluorinated beta-diketonate diglyme lanthanide complexes as new second-order nonlinear optical chromophores: the role of f electrons in the dipolar and octupolar contribution to quadratic hyperpolarizability 29
Hydration of alkynes catalyzed by [Au(X)(L)(ppy)]X in the green solvent γ-valerolactone under acid-free conditions: the importance of the pre-equilibrium step 29
Poisson-transformed density fitting in relativistic 4-component Dirac-Kohn-Sham theory 29
Totale 4.813
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Categoria #
all - tutte 23.729
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 23.729
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020246 0 0 0 6 38 11 52 12 40 57 15 15
2020/2021697 5 32 26 38 225 37 41 2 78 32 55 126
2021/2022887 21 171 18 31 34 25 20 264 33 41 101 128
2022/20231.731 116 334 31 109 137 178 3 77 652 4 61 29
2023/2024667 48 76 26 2 11 3 188 4 82 23 111 93
2024/2025215 20 144 43 8 0 0 0 0 0 0 0 0
Totale 5.155