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

BELPASSI, LEONARDO
 Distribuzione geografica
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Continente #
NA - Nord America 2.522
EU - Europa 1.670
AS - Asia 925
SA - Sud America 4
Continente sconosciuto - Info sul continente non disponibili 3
OC - Oceania 2
AF - Africa 1
Totale 5.127
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Nazione #
US - Stati Uniti d'America 2.513
IE - Irlanda 506
IT - Italia 416
SG - Singapore 341
HK - Hong Kong 262
UA - Ucraina 194
SE - Svezia 163
CN - Cina 159
VN - Vietnam 113
RU - Federazione Russa 104
FI - Finlandia 95
DE - Germania 63
GB - Regno Unito 39
FR - Francia 22
KR - Corea 18
CH - Svizzera 15
BE - Belgio 14
TR - Turchia 12
AT - Austria 10
UZ - Uzbekistan 9
NL - Olanda 7
GR - Grecia 6
CA - Canada 5
LB - Libano 5
IR - Iran 4
CZ - Repubblica Ceca 3
EU - Europa 3
MX - Messico 3
PL - Polonia 3
RO - Romania 3
AU - Australia 2
BR - Brasile 2
CL - Cile 2
ID - Indonesia 2
NO - Norvegia 2
DK - Danimarca 1
ES - Italia 1
LU - Lussemburgo 1
MA - Marocco 1
PA - Panama 1
PT - Portogallo 1
SK - Slovacchia (Repubblica Slovacca) 1
Totale 5.127
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Città #
Dublin 506
Chandler 481
Singapore 278
Hong Kong 262
San Mateo 231
Boardman 163
Perugia 150
Santa Clara 125
Altamura 116
Jacksonville 114
Dong Ket 112
Wilmington 110
Medford 109
Princeton 109
Lawrence 101
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
Helsinki 18
Brussels 14
Los Angeles 14
Seoul 14
Bologna 13
Izmir 12
Woodbridge 11
Redwood City 10
Ashburn 9
Dallas 8
Moscow 8
Milan 7
New York 7
Chicago 6
Den Haag 5
Hebei 5
Houston 5
Lappeenranta 4
Ludwigshafen 4
Padova 4
Rome 4
Shanghai 4
Tappahannock 4
Fairfield 3
Frankfurt Am Main 3
Hanover 3
London 3
Nanjing 3
Pisa 3
San Giuliano Terme 3
Seattle 3
Toronto 3
Udine 3
Ariccia 2
Assisi 2
Cambridge 2
Chongqing 2
Città Di Castello 2
Duncan 2
Esslingen am Neckar 2
Fiumicino 2
Frankfurt am Main 2
Gualdo Tadino 2
Isfahan 2
Kiev 2
Lausanne 2
Mcallen 2
Montréal 2
Nagold 2
Olomouc 2
Philadelphia 2
Shijiazhuang 2
Torgiano 2
Athens 1
Atlanta 1
Auburn Hills 1
Baoding 1
Baotou 1
Bratislava 1
Changsha 1
Changzhou 1
Chengdu 1
Clearwater 1
Clifton 1
Cologne 1
Dongguan 1
Edinburgh 1
Foligno 1
Fremont 1
Garden City 1
Genova 1
Groningen 1
Guangzhou 1
Halle 1
Hefei 1
Hunedoara 1
Totale 3.634
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Nome #
Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects 124
Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules 106
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 105
Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment 103
Weak Halogen Bond in Gas-Phase Systems: Molecular Beam Scattering Experiments and Ab-Initio Calculations 103
Molecular-beam study of the ammonia–noble gas systems: Characterization of the isotropic interaction and insights into the nature of the intermolecular potential 100
13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes 91
Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy 87
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 83
Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis 77
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry 71
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 70
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis 64
Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry 62
Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases 61
Advances in Charge Displacement Analysis 61
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond 61
Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects 61
An efficient parallel all-electron 4-component Dirac-Kohn-Sham method using a distributed matrix approach 60
All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements 59
Intermolecular Interaction in the H2S–H2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations 59
A quantitative view of charge transfer in the hydrogen bond: the water dimer case 59
Charge transfer energy in the water-hydrogen molecular aggregate probed by molecular-beam scattering experiments, charge displacement analysis, and ab-initio calculations 58
Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems 58
Revealing Charge Transfer in Gas-Phase: Systems with Halogen and Hydrogen Bonds 57
Spin‐forbidden reactivity of transition metal‐oxo species: exploring the potential energy surfaces 57
Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations 56
On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules 54
Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes 54
Fluorescent signal transduction in a self-assembled Hg2+ chemosensor tuned by various interactions in micellar aqueous environment 54
Charge displacement analysis — A tool to theoretically characterize the charge transfer contribution of halogen bonds 54
Merging of E2 and E1cb reaction mechanisms: a combined theoretical and experimental study 53
Charge-displacement analysis for excited states 53
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation 52
Spin–orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine 52
The nature of the lead-iodine bond in PbI2: A case study for the modelling of lead halide perovskites 52
Leading interaction components in the structure and reactivity of noble gases compounds 52
Chemical Characterization of Super-Heavy Elements by Four-Component DFT 51
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes 51
Dioxygen insertion into the gold(I)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition 51
When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+) 51
Ground and excited electronic states of AuH2 via detachment energies on AuH2− using state-of-the-art relativistic calculations 51
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled 50
Parallelization of a relativistic DFT code 50
A Phosphine Gold(I) pi-Alkyne Complex: Tuning Metal-Alkyne Bond Character and Counterion Position by the Choice of the Ancillary Ligand 49
Full Parallel Implementation of an All-Electron Four-Component Dirac–Kohn–Sham Program 49
Solvent-, Silver-, and Acid-Free NHC-Au-X Catalyzed Hydration of Alkynes. The Pivotal Role of the Counterion 49
An indirect approach to the determination of the nuclear quadrupole moment by 4-component relativistic DFT in molecular calculations 48
Disentanglement of donation and back-donation effects on experimental observables. A case study for gold-ethyne complexes 48
The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes 48
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 48
Strong electron-donating ligands accelerate the protodeauration step in gold(I)-catalyzed reactions: a quantitative understanding of the ligand effect 48
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 48
An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes 48
Charge transfer in beryllium bonds and cooperativity of beryllium and halogen bonds. A new perspective 47
The mechanism of the gold(I)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-ol via 4-endo-dig cyclization 47
The Role of Electronic Distribution and Charge Trasfer in Weak Halogen Bond by Molecular Beam Scattering Experiments and Ab-initio Calculations 46
The ligand effect on the oxidative addition of dioxygen to gold(I)–hydride complexes 46
Efficient parallel all-electron 4-component Dirac-Kohn-Sham program using a distributed matrix approach. II 46
A combined NMR/DFT study on the ion pair structure of [(PR12R2)Au([small eta]2-3-hexyne)]BF4 complexes 46
On the Dewar-Chatt-Duncanson model for catalytic gold(I) complexes 45
Nature and Stability of Weak Halogen Bonds in the Gas Phase: Molecular Beam Scattering Experiments and Ab Initio Charge Displacement Calculations 45
Cyclization of 2-Alkynyldimethylaniline on Gold(I) Cationic and Neutral Complexes 45
Ligand Effect on Bonding in Gold(III) Carbonyl Complexes 45
Turn-off and -on fluorescence switching of a self-assembled sensor for mercury(II) induced by anionic micelles 45
H2O-CH4 and H2S-CH4 complexes: a direct comparison through molecular beam experiments and ab initio calculations 44
The gold(III)–CO bond: a missing piece in the gold carbonyl complex landscape 44
Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory 44
Unraveling the Anion/Ligand Interplay in the Reaction Mechanism of Gold(I)-Catalyzed Alkoxylation of Alkynes 43
Diffusion NMR measurements on cationic linear gold(I) complexes 42
Hydration and alkoxylation of alkynes catalyzed by NHC–Au–OTf 42
Role of Ion Pairing in the Mechanisms of Au(I)-catalysed Reactions: Theory and Experiment 42
Ligand Effects on Bonding and Ion Pairing in Cationic Gold(I) Catalysts Bearing Unsaturated Hydrocarbons 42
Nuclear electric quadrupole moment of gold 41
Experimental and theoretical evidence of charge transfer in weakly bound complexes of water 40
Computational strategies based on electron density fitting in relativistic Density Functional Theory 40
Intermolecular Interaction in the NH3−H2 and H2O−H2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer 40
The nuclear electric quadrupole moment of gold 39
Relativistic quantum chemistry involving heavy atoms 39
Extensive Experimental and Computational Study of Counterion Effect in the Reaction Mechanism of NHC-Gold(I)-Catalyzed Alkoxylation of Alkynes 39
Efficient Computation of Geometries for Gold Complexes 38
Electron density fitting for the Coulomb problem in relativistic density functional theory 37
Molecular-beam scattering experiments and theoretical calculations probing charge transfer in weakly bound complexes of water 37
Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations 37
Ion pairing in NHC gold(I) olefin complexes: A combined experimental/theoretical study 37
Experimental and theoretical investigation of the cycloisomerization of N-propargylcarboxamide catalyzed by NHC-Au-X in green solvents 37
An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2 37
Computational strategies for a four-component Dirac-Kohn-Sham program: Implementation and first applications 36
Ion Pairing in Cationic Olefin-Gold(I) Complexes 35
Unexpected anion effect in the alkoxylation of alkynes catalyzed by N-Heterocyclic Carbene (NHC) cationic gold complexes 35
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 35
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 34
Relationship between the anion/cation relative orientation and the catalytic activity of nitrogen acyclic carbene–gold catalysts 33
What Singles out Aluminyl Anions? A Comparative Computational Study of the Carbon Dioxide Insertion Reaction in Gold–Aluminyl, −Gallyl, and −Indyl Complexes 33
NHC-Gold-Alkyne Complexes: Influence of the Carbene Backbone on the Ion Pair Structure 32
On the stability of helium compounds: insights from charge displacement analysis 32
Disentanglement of Donation and Back-Donation Effects on Experimental Observables: A Case Study of Gold-Ethyne Complexes 32
Quantitative assessment of the carbocation/carbene character of the gold-carbene bond 31
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 31
π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis 31
Totale 5.195
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Categoria #
all - tutte 26.584
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 26.584
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020202 0 0 0 0 0 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
2024/2025677 20 144 43 109 275 86 0 0 0 0 0 0
Totale 5.617