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

BELPASSI, LEONARDO
 Distribuzione geografica
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Continente #
NA - Nord America 4.085
AS - Asia 3.074
EU - Europa 2.474
Continente sconosciuto - Info sul continente non disponibili 507
SA - Sud America 459
AF - Africa 68
OC - Oceania 4
Totale 10.671
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Nazione #
US - Stati Uniti d'America 3.964
SG - Singapore 1.504
IE - Irlanda 509
IT - Italia 502
HK - Hong Kong 458
CN - Cina 416
RU - Federazione Russa 393
BR - Brasile 349
VN - Vietnam 258
UA - Ucraina 199
SE - Svezia 177
FR - Francia 161
DE - Germania 160
FI - Finlandia 108
GB - Regno Unito 105
IN - India 75
BD - Bangladesh 65
KR - Corea 63
CA - Canada 61
AR - Argentina 38
TR - Turchia 37
MX - Messico 30
IQ - Iraq 27
CO - Colombia 24
PL - Polonia 24
ES - Italia 22
ZA - Sudafrica 22
ID - Indonesia 21
PK - Pakistan 20
SA - Arabia Saudita 20
UZ - Uzbekistan 20
AT - Austria 18
NL - Olanda 18
BE - Belgio 16
JP - Giappone 16
CH - Svizzera 15
EC - Ecuador 13
MA - Marocco 11
CL - Cile 10
PH - Filippine 10
VE - Venezuela 10
GR - Grecia 9
JO - Giordania 8
RO - Romania 8
TN - Tunisia 8
ET - Etiopia 7
LB - Libano 7
AZ - Azerbaigian 6
LT - Lituania 6
MY - Malesia 6
NP - Nepal 6
PY - Paraguay 6
AE - Emirati Arabi Uniti 5
EG - Egitto 5
IR - Iran 5
PE - Perù 5
AU - Australia 4
CZ - Repubblica Ceca 4
DO - Repubblica Dominicana 4
HN - Honduras 4
KG - Kirghizistan 4
NI - Nicaragua 4
PA - Panama 4
CR - Costa Rica 3
EU - Europa 3
GT - Guatemala 3
JM - Giamaica 3
NO - Norvegia 3
PS - Palestinian Territory 3
TH - Thailandia 3
BO - Bolivia 2
GE - Georgia 2
HU - Ungheria 2
KZ - Kazakistan 2
NG - Nigeria 2
PT - Portogallo 2
RS - Serbia 2
SK - Slovacchia (Repubblica Slovacca) 2
SN - Senegal 2
SV - El Salvador 2
TZ - Tanzania 2
AL - Albania 1
AM - Armenia 1
BA - Bosnia-Erzegovina 1
BB - Barbados 1
CI - Costa d'Avorio 1
DK - Danimarca 1
DZ - Algeria 1
EE - Estonia 1
GY - Guiana 1
IL - Israele 1
IS - Islanda 1
KE - Kenya 1
KH - Cambogia 1
LU - Lussemburgo 1
LY - Libia 1
MD - Moldavia 1
ME - Montenegro 1
MG - Madagascar 1
MR - Mauritania 1
Totale 10.156
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Città #
Singapore 1.114
Dublin 508
San Jose 495
Chandler 481
Hong Kong 457
San Mateo 231
Ashburn 216
Santa Clara 171
Boardman 163
Perugia 162
Moscow 133
Jacksonville 118
Altamura 116
Dong Ket 112
Medford 110
Wilmington 110
Princeton 109
Lauterbourg 107
Beijing 106
Lawrence 101
Los Angeles 74
Ann Arbor 71
Andover 66
Redmond 61
New York 60
Seoul 57
Ho Chi Minh City 51
Munich 45
The Dalles 44
Des Moines 40
Hanoi 32
Dallas 31
Saint Petersburg 29
Falls Church 26
Frankfurt am Main 25
Helsinki 23
São Paulo 23
Chicago 22
Piscataway 22
Norwalk 21
San Paolo di Civitate 21
Montreal 20
Denver 19
Brooklyn 18
Orem 18
Phoenix 17
Brussels 16
Milan 16
Warsaw 16
Bologna 14
Boston 14
Rio de Janeiro 14
Tokyo 14
Atlanta 13
Houston 13
London 13
Manchester 13
Poplar 13
Toronto 13
Chennai 12
Izmir 12
New Delhi 12
Stockholm 12
Johannesburg 11
San Francisco 11
Shanghai 11
Woodbridge 11
Council Bluffs 10
Haiphong 10
Redwood City 10
Tashkent 10
Buffalo 9
Mexico City 9
Baghdad 8
Falkenstein 8
Nuremberg 8
Turku 8
Vienna 8
Addis Ababa 7
Amsterdam 7
Da Nang 7
Guangzhou 7
Guayaquil 7
Jeddah 7
Pittsburgh 7
Rome 7
Secaucus 7
Amman 6
Baku 6
Bogotá 6
Dammam 6
Hefei 6
Jakarta 6
Medellín 6
Seattle 6
Trento 6
Ankara 5
Barnet 5
Belo Horizonte 5
Buenos Aires 5
Totale 6.565
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Nome #
Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules 171
Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects 165
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 156
Weak Halogen Bond in Gas-Phase Systems: Molecular Beam Scattering Experiments and Ab-Initio Calculations 153
13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes 153
Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment 146
Molecular-beam study of the ammonia–noble gas systems: Characterization of the isotropic interaction and insights into the nature of the intermolecular potential 141
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 139
Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis 134
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled 128
Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy 127
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry 125
Spin‐forbidden reactivity of transition metal‐oxo species: exploring the potential energy surfaces 114
Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes 112
Fluorescent signal transduction in a self-assembled Hg2+ chemosensor tuned by various interactions in micellar aqueous environment 112
Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems 111
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond 110
Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations 109
A quantitative view of charge transfer in the hydrogen bond: the water dimer case 109
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 109
The nature of the lead-iodine bond in PbI2: A case study for the modelling of lead halide perovskites 109
Dioxygen insertion into the gold(I)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition 107
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis 106
Spin–orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine 106
An efficient parallel all-electron 4-component Dirac-Kohn-Sham method using a distributed matrix approach 105
Charge displacement analysis — A tool to theoretically characterize the charge transfer contribution of halogen bonds 105
Charge-displacement analysis for excited states 104
Full Parallel Implementation of an All-Electron Four-Component Dirac–Kohn–Sham Program 103
An indirect approach to the determination of the nuclear quadrupole moment by 4-component relativistic DFT in molecular calculations 102
Advances in Charge Displacement Analysis 102
Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases 101
Intermolecular Interaction in the H2S–H2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations 100
A combined NMR/DFT study on the ion pair structure of [(PR12R2)Au([small eta]2-3-hexyne)]BF4 complexes 100
Charge transfer energy in the water-hydrogen molecular aggregate probed by molecular-beam scattering experiments, charge displacement analysis, and ab-initio calculations 99
Revealing Charge Transfer in Gas-Phase: Systems with Halogen and Hydrogen Bonds 98
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation 98
Ground and excited electronic states of AuH2 via detachment energies on AuH2− using state-of-the-art relativistic calculations 98
Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory 98
A Phosphine Gold(I) pi-Alkyne Complex: Tuning Metal-Alkyne Bond Character and Counterion Position by the Choice of the Ancillary Ligand 97
Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry 97
Merging of E2 and E1cb reaction mechanisms: a combined theoretical and experimental study 96
Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects 94
Efficient parallel all-electron 4-component Dirac-Kohn-Sham program using a distributed matrix approach. II 94
The Role of Electronic Distribution and Charge Trasfer in Weak Halogen Bond by Molecular Beam Scattering Experiments and Ab-initio Calculations 93
The ligand effect on the oxidative addition of dioxygen to gold(I)–hydride complexes 93
An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes 93
Ligand Effect on Bonding in Gold(III) Carbonyl Complexes 92
On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules 91
Disentanglement of donation and back-donation effects on experimental observables. A case study for gold-ethyne complexes 90
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 90
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 90
Cyclization of 2-Alkynyldimethylaniline on Gold(I) Cationic and Neutral Complexes 89
Charge transfer in beryllium bonds and cooperativity of beryllium and halogen bonds. A new perspective 88
Strong electron-donating ligands accelerate the protodeauration step in gold(I)-catalyzed reactions: a quantitative understanding of the ligand effect 88
When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+) 88
Extensive Experimental and Computational Study of Counterion Effect in the Reaction Mechanism of NHC-Gold(I)-Catalyzed Alkoxylation of Alkynes 88
Parallelization of a relativistic DFT code 86
Ligand Effects on Bonding and Ion Pairing in Cationic Gold(I) Catalysts Bearing Unsaturated Hydrocarbons 86
An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2 86
All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements 85
The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes 84
Leading interaction components in the structure and reactivity of noble gases compounds 84
The mechanism of the gold(I)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-ol via 4-endo-dig cyclization 84
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 84
Mechanistic study of alkyne insertion into Cu−Al and Au−Al bonds: a paradigm shift for coinage metal chemistry 83
The gold(III)–CO bond: a missing piece in the gold carbonyl complex landscape 83
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes 81
H2O-CH4 and H2S-CH4 complexes: a direct comparison through molecular beam experiments and ab initio calculations 80
Turn-off and -on fluorescence switching of a self-assembled sensor for mercury(II) induced by anionic micelles 80
Efficient Computation of Geometries for Gold Complexes 80
Unraveling the Anion/Ligand Interplay in the Reaction Mechanism of Gold(I)-Catalyzed Alkoxylation of Alkynes 79
Experimental and theoretical evidence of charge transfer in weakly bound complexes of water 78
Radical-like reactivity for dihydrogen activation by coinage metal–aluminyl complexes: computational evidence inspired by experimental main group chemistry 77
Solvent-, Silver-, and Acid-Free NHC-Au-X Catalyzed Hydration of Alkynes. The Pivotal Role of the Counterion 77
Chemical Characterization of Super-Heavy Elements by Four-Component DFT 76
Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold? 76
Coinage Metal Effect on the Reduction of Carbon Dioxide with Monomeric Metal-Hydride Complexes 75
Chemical bond analysis for the entire periodic table: energy decomposition and natural orbitals for chemical valence in the four-component relativistic framework 74
Diffusion NMR measurements on cationic linear gold(I) complexes 74
Hydration and alkoxylation of alkynes catalyzed by NHC–Au–OTf 74
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 74
Relationship between the anion/cation relative orientation and the catalytic activity of nitrogen acyclic carbene–gold catalysts 73
Role of Ion Pairing in the Mechanisms of Au(I)-catalysed Reactions: Theory and Experiment 73
On the Dewar-Chatt-Duncanson model for catalytic gold(I) complexes 72
Relativistic quantum chemistry involving heavy atoms 72
Computational strategies for a four-component Dirac-Kohn-Sham program: Implementation and first applications 71
How reduced are nucleophilic gold complexes? 70
Electron density fitting for the Coulomb problem in relativistic density functional theory 70
Ion Pairing in Cationic Olefin-Gold(I) Complexes 70
Nature and Stability of Weak Halogen Bonds in the Gas Phase: Molecular Beam Scattering Experiments and Ab Initio Charge Displacement Calculations 70
Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations 70
Nuclear electric quadrupole moment of gold 69
NHC-Gold-Alkyne Complexes: Influence of the Carbene Backbone on the Ion Pair Structure 69
Quantitative assessment of the carbocation/carbene character of the gold-carbene bond 69
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 69
Experimental and theoretical investigation of the cycloisomerization of N-propargylcarboxamide catalyzed by NHC-Au-X in green solvents 68
Computational strategies based on electron density fitting in relativistic Density Functional Theory 67
Cooperative small molecule activation by apolar and weakly polar bonds through the lens of a suitable computational protocol 65
Monitoring of the Pre-Equilibrium Step in the Alkyne Hydration Reaction Catalyzed by Au(III) Complexes: A Computational Study Based on Experimental Evidences 65
Poisson-transformed density fitting in relativistic 4-component Dirac-Kohn-Sham theory 64
Totale 9.432
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Categoria #
all - tutte 50.839
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 50.839
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/2022695 0 0 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
2024/20251.613 20 144 43 109 275 86 28 73 333 91 283 128
2025/20263.903 246 231 227 510 486 328 678 199 463 379 119 37
2026/2027215 72 126 17 0 0 0 0 0 0 0 0 0
Totale 10.671