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

BELPASSI, LEONARDO
 Distribuzione geografica
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Continente #
NA - Nord America 3.158
AS - Asia 2.223
EU - Europa 2.112
SA - Sud America 325
AF - Africa 31
Continente sconosciuto - Info sul continente non disponibili 3
OC - Oceania 3
Totale 7.855
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Nazione #
US - Stati Uniti d'America 3.089
SG - Singapore 1.032
IE - Irlanda 507
IT - Italia 444
HK - Hong Kong 436
CN - Cina 347
RU - Federazione Russa 285
BR - Brasile 277
VN - Vietnam 201
UA - Ucraina 198
SE - Svezia 174
DE - Germania 141
FI - Finlandia 108
GB - Regno Unito 75
KR - Corea 63
FR - Francia 46
CA - Canada 36
IN - India 30
PL - Polonia 24
AR - Argentina 22
MX - Messico 19
TR - Turchia 19
AT - Austria 17
BE - Belgio 16
UZ - Uzbekistan 16
CH - Svizzera 15
ES - Italia 14
ID - Indonesia 14
NL - Olanda 14
BD - Bangladesh 12
ZA - Sudafrica 12
JP - Giappone 9
GR - Grecia 8
IQ - Iraq 8
EC - Ecuador 7
PK - Pakistan 7
CO - Colombia 6
RO - Romania 6
CL - Cile 5
IR - Iran 5
LB - Libano 5
LT - Lituania 5
AE - Emirati Arabi Uniti 4
CZ - Repubblica Ceca 4
DO - Repubblica Dominicana 4
JO - Giordania 4
TN - Tunisia 4
AU - Australia 3
EU - Europa 3
MA - Marocco 3
AZ - Azerbaigian 2
EG - Egitto 2
GT - Guatemala 2
NG - Nigeria 2
NI - Nicaragua 2
NO - Norvegia 2
PA - Panama 2
PE - Perù 2
PY - Paraguay 2
SK - Slovacchia (Repubblica Slovacca) 2
SN - Senegal 2
VE - Venezuela 2
AM - Armenia 1
BB - Barbados 1
BO - Bolivia 1
DK - Danimarca 1
DZ - Algeria 1
EE - Estonia 1
ET - Etiopia 1
GE - Georgia 1
HN - Honduras 1
HU - Ungheria 1
IL - Israele 1
IS - Islanda 1
KG - Kirghizistan 1
KZ - Kazakistan 1
LU - Lussemburgo 1
MR - Mauritania 1
MT - Malta 1
NP - Nepal 1
OM - Oman 1
PR - Porto Rico 1
PT - Portogallo 1
RE - Reunion 1
SA - Arabia Saudita 1
TZ - Tanzania 1
UY - Uruguay 1
VC - Saint Vincent e Grenadine 1
YE - Yemen 1
ZM - Zambia 1
Totale 7.855
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Città #
Singapore 680
Dublin 507
Chandler 481
Hong Kong 435
San Mateo 231
Boardman 163
Perugia 154
Santa Clara 135
Altamura 116
Ashburn 114
Jacksonville 114
Dong Ket 112
Wilmington 110
Medford 109
Princeton 109
Lawrence 101
Moscow 88
Beijing 79
Ann Arbor 71
Andover 66
Redmond 61
Seoul 57
Los Angeles 53
Munich 43
New York 43
Des Moines 39
Ho Chi Minh City 35
The Dalles 30
Saint Petersburg 29
Dallas 28
Falls Church 26
Helsinki 23
Norwalk 21
San Paolo di Civitate 21
Frankfurt am Main 19
Hanoi 19
Brooklyn 17
Chicago 17
Denver 17
Brussels 16
Piscataway 16
São Paulo 16
Warsaw 16
Bologna 13
Boston 13
Houston 13
Izmir 12
Rio de Janeiro 11
Shanghai 11
Woodbridge 11
London 10
Montreal 10
Poplar 10
Redwood City 10
Stockholm 10
Atlanta 9
Milan 9
Phoenix 9
San Francisco 9
Tokyo 9
Toronto 9
Falkenstein 8
Turku 8
Chennai 7
Guangzhou 7
Haiphong 7
Johannesburg 7
Mexico City 7
New Delhi 7
Secaucus 7
Vienna 7
Hefei 6
Orem 6
Seattle 6
Tashkent 6
Trento 6
Columbus 5
Den Haag 5
Hebei 5
Manchester 5
Nuremberg 5
Amman 4
Belo Horizonte 4
Council Bluffs 4
Fortaleza 4
Guarulhos 4
Guayaquil 4
Islamabad 4
Jakarta 4
Jinan 4
Lappeenranta 4
Ludwigshafen 4
Padova 4
Pittsburgh 4
Porto Alegre 4
Recife 4
Rome 4
Shijiazhuang 4
Tappahannock 4
Uberlândia 4
Totale 5.028
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Nome #
Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects 152
Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules 144
Weak Halogen Bond in Gas-Phase Systems: Molecular Beam Scattering Experiments and Ab-Initio Calculations 131
Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment 125
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 123
13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes 120
Molecular-beam study of the ammonia–noble gas systems: Characterization of the isotropic interaction and insights into the nature of the intermolecular potential 114
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 111
Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy 108
Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis 108
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry 102
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 97
Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes 95
Spin‐forbidden reactivity of transition metal‐oxo species: exploring the potential energy surfaces 92
Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems 90
A quantitative view of charge transfer in the hydrogen bond: the water dimer case 89
An efficient parallel all-electron 4-component Dirac-Kohn-Sham method using a distributed matrix approach 89
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond 87
Advances in Charge Displacement Analysis 85
Fluorescent signal transduction in a self-assembled Hg2+ chemosensor tuned by various interactions in micellar aqueous environment 85
Charge displacement analysis — A tool to theoretically characterize the charge transfer contribution of halogen bonds 85
Charge transfer energy in the water-hydrogen molecular aggregate probed by molecular-beam scattering experiments, charge displacement analysis, and ab-initio calculations 84
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis 84
Intermolecular Interaction in the H2S–H2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations 82
Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects 81
Merging of E2 and E1cb reaction mechanisms: a combined theoretical and experimental study 79
Revealing Charge Transfer in Gas-Phase: Systems with Halogen and Hydrogen Bonds 79
Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases 78
Cyclization of 2-Alkynyldimethylaniline on Gold(I) Cationic and Neutral Complexes 78
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation 78
The nature of the lead-iodine bond in PbI2: A case study for the modelling of lead halide perovskites 78
Full Parallel Implementation of an All-Electron Four-Component Dirac–Kohn–Sham Program 78
An indirect approach to the determination of the nuclear quadrupole moment by 4-component relativistic DFT in molecular calculations 77
A Phosphine Gold(I) pi-Alkyne Complex: Tuning Metal-Alkyne Bond Character and Counterion Position by the Choice of the Ancillary Ligand 77
The Role of Electronic Distribution and Charge Trasfer in Weak Halogen Bond by Molecular Beam Scattering Experiments and Ab-initio Calculations 77
Charge-displacement analysis for excited states 77
An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes 77
Disentanglement of donation and back-donation effects on experimental observables. A case study for gold-ethyne complexes 76
Dioxygen insertion into the gold(I)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition 76
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled 76
Spin–orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine 76
All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements 75
Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations 75
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 75
Efficient parallel all-electron 4-component Dirac-Kohn-Sham program using a distributed matrix approach. II 75
A combined NMR/DFT study on the ion pair structure of [(PR12R2)Au([small eta]2-3-hexyne)]BF4 complexes 75
Ground and excited electronic states of AuH2 via detachment energies on AuH2− using state-of-the-art relativistic calculations 75
Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry 74
On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules 73
Leading interaction components in the structure and reactivity of noble gases compounds 73
Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory 73
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes 72
Strong electron-donating ligands accelerate the protodeauration step in gold(I)-catalyzed reactions: a quantitative understanding of the ligand effect 72
An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2 72
Ligand Effect on Bonding in Gold(III) Carbonyl Complexes 71
The ligand effect on the oxidative addition of dioxygen to gold(I)–hydride complexes 70
Unraveling the Anion/Ligand Interplay in the Reaction Mechanism of Gold(I)-Catalyzed Alkoxylation of Alkynes 69
When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+) 69
Parallelization of a relativistic DFT code 69
Charge transfer in beryllium bonds and cooperativity of beryllium and halogen bonds. A new perspective 67
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 67
The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes 66
Turn-off and -on fluorescence switching of a self-assembled sensor for mercury(II) induced by anionic micelles 66
The mechanism of the gold(I)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-ol via 4-endo-dig cyclization 66
Chemical Characterization of Super-Heavy Elements by Four-Component DFT 65
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 65
The gold(III)–CO bond: a missing piece in the gold carbonyl complex landscape 64
Solvent-, Silver-, and Acid-Free NHC-Au-X Catalyzed Hydration of Alkynes. The Pivotal Role of the Counterion 64
H2O-CH4 and H2S-CH4 complexes: a direct comparison through molecular beam experiments and ab initio calculations 63
Extensive Experimental and Computational Study of Counterion Effect in the Reaction Mechanism of NHC-Gold(I)-Catalyzed Alkoxylation of Alkynes 63
Mechanistic study of alkyne insertion into Cu−Al and Au−Al bonds: a paradigm shift for coinage metal chemistry 62
Diffusion NMR measurements on cationic linear gold(I) complexes 62
Ligand Effects on Bonding and Ion Pairing in Cationic Gold(I) Catalysts Bearing Unsaturated Hydrocarbons 62
Experimental and theoretical evidence of charge transfer in weakly bound complexes of water 61
Hydration and alkoxylation of alkynes catalyzed by NHC–Au–OTf 61
Relativistic quantum chemistry involving heavy atoms 60
Computational strategies for a four-component Dirac-Kohn-Sham program: Implementation and first applications 59
Role of Ion Pairing in the Mechanisms of Au(I)-catalysed Reactions: Theory and Experiment 59
Electron density fitting for the Coulomb problem in relativistic density functional theory 58
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 58
Efficient Computation of Geometries for Gold Complexes 58
Computational strategies based on electron density fitting in relativistic Density Functional Theory 57
Nature and Stability of Weak Halogen Bonds in the Gas Phase: Molecular Beam Scattering Experiments and Ab Initio Charge Displacement Calculations 56
Experimental and theoretical investigation of the cycloisomerization of N-propargylcarboxamide catalyzed by NHC-Au-X in green solvents 56
How reduced are nucleophilic gold complexes? 55
Ion Pairing in Cationic Olefin-Gold(I) Complexes 55
Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations 55
Radical-like reactivity for dihydrogen activation by coinage metal–aluminyl complexes: computational evidence inspired by experimental main group chemistry 54
Nuclear electric quadrupole moment of gold 54
On the Dewar-Chatt-Duncanson model for catalytic gold(I) complexes 54
Widening the Landscape of Small Molecule Activation with Gold-Aluminyl Complexes: A Systematic Study of E−H (E=O, N) Bonds, SO2 and N2O Activation 53
NHC-Gold-Alkyne Complexes: Influence of the Carbene Backbone on the Ion Pair Structure 53
Relationship between the anion/cation relative orientation and the catalytic activity of nitrogen acyclic carbene–gold catalysts 53
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 51
Ion pairing in NHC gold(I) olefin complexes: A combined experimental/theoretical study 51
Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold? 51
Unexpected anion effect in the alkoxylation of alkynes catalyzed by N-Heterocyclic Carbene (NHC) cationic gold complexes 50
Cooperative small molecule activation by apolar and weakly polar bonds through the lens of a suitable computational protocol 49
Quantitative assessment of the carbocation/carbene character of the gold-carbene bond 49
On the stability of helium compounds: insights from charge displacement analysis 49
Totale 7.488
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Categoria #
all - tutte 41.287
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 41.287
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021371 0 0 0 0 0 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
2024/20251.613 20 144 43 109 275 86 28 73 333 91 283 128
2025/20261.800 246 231 227 510 486 100 0 0 0 0 0 0
Totale 8.353