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

TARANTELLI, Francesco
 Distribuzione geografica
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Continente #
NA - Nord America 8.398
EU - Europa 6.077
AS - Asia 5.563
SA - Sud America 1.013
AF - Africa 124
Continente sconosciuto - Info sul continente non disponibili 10
OC - Oceania 8
Totale 21.193
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Nazione #
US - Stati Uniti d'America 8.232
SG - Singapore 2.624
UA - Ucraina 1.249
IE - Irlanda 1.082
RU - Federazione Russa 926
BR - Brasile 788
HK - Hong Kong 728
CN - Cina 692
VN - Vietnam 681
IT - Italia 629
SE - Svezia 607
DE - Germania 414
FR - Francia 353
FI - Finlandia 333
GB - Regno Unito 180
KR - Corea 141
IN - India 128
TR - Turchia 96
BD - Bangladesh 83
AR - Argentina 78
CA - Canada 66
IQ - Iraq 60
MX - Messico 57
PL - Polonia 44
PK - Pakistan 43
CH - Svizzera 42
ZA - Sudafrica 39
CO - Colombia 38
SA - Arabia Saudita 38
JP - Giappone 37
AT - Austria 34
BE - Belgio 33
UZ - Uzbekistan 33
EC - Ecuador 31
ES - Italia 30
NL - Olanda 29
ID - Indonesia 27
VE - Venezuela 27
PH - Filippine 26
TN - Tunisia 22
LB - Libano 20
CL - Cile 19
JO - Giordania 16
CZ - Repubblica Ceca 15
MA - Marocco 15
GR - Grecia 14
PT - Portogallo 14
PY - Paraguay 12
MY - Malesia 11
PE - Perù 11
RO - Romania 11
AE - Emirati Arabi Uniti 10
EU - Europa 10
NP - Nepal 10
AZ - Azerbaigian 9
EG - Egitto 9
LT - Lituania 9
CR - Costa Rica 8
KZ - Kazakistan 8
ET - Etiopia 7
JM - Giamaica 7
KE - Kenya 7
AU - Australia 6
KG - Kirghizistan 6
OM - Oman 6
IR - Iran 5
UY - Uruguay 5
AL - Albania 4
BO - Bolivia 4
IL - Israele 4
LY - Libia 4
NI - Nicaragua 4
PA - Panama 4
PS - Palestinian Territory 4
BB - Barbados 3
BG - Bulgaria 3
DO - Repubblica Dominicana 3
DZ - Algeria 3
LV - Lettonia 3
RS - Serbia 3
SN - Senegal 3
BA - Bosnia-Erzegovina 2
BW - Botswana 2
EE - Estonia 2
GE - Georgia 2
GT - Guatemala 2
HN - Honduras 2
HR - Croazia 2
IS - Islanda 2
KH - Cambogia 2
MD - Moldavia 2
MU - Mauritius 2
NG - Nigeria 2
NO - Norvegia 2
NZ - Nuova Zelanda 2
QA - Qatar 2
TJ - Tagikistan 2
TT - Trinidad e Tobago 2
VG - Isole Vergini Britanniche 2
AM - Armenia 1
Totale 21.166
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Città #
Singapore 1.856
Chandler 1.155
Dublin 1.081
Hong Kong 726
San Mateo 670
San Jose 667
Jacksonville 603
Dong Ket 417
Boardman 404
Ashburn 351
Santa Clara 314
Moscow 292
Medford 278
Wilmington 277
Princeton 276
Lauterbourg 241
Des Moines 239
Ann Arbor 203
Perugia 201
Altamura 175
Beijing 174
Andover 172
Lawrence 151
Seoul 136
The Dalles 102
Ho Chi Minh City 101
Los Angeles 87
Munich 87
Saint Petersburg 81
New York 79
São Paulo 62
Hanoi 58
Norwalk 54
Redmond 49
Helsinki 47
Izmir 44
Piscataway 43
Frankfurt am Main 37
Dallas 34
Tokyo 34
Brussels 33
San Paolo di Civitate 30
Brooklyn 28
Chicago 27
Turku 27
Rio de Janeiro 26
Shanghai 25
Baghdad 24
Atlanta 23
Orem 23
Warsaw 23
Denver 22
Falls Church 22
Johannesburg 22
Montreal 21
Woodbridge 20
Bologna 19
Belo Horizonte 18
London 18
Mexico City 18
Boston 17
Poplar 17
Chennai 16
Milan 16
Phoenix 16
San Francisco 16
Tashkent 16
Toronto 16
Brasília 15
Haiphong 15
New Delhi 15
Redwood City 15
Da Nang 14
Guayaquil 14
Houston 14
Riyadh 14
Miami 13
Nuremberg 13
Stockholm 13
Ankara 12
Jeddah 12
Manchester 12
Rome 12
Amman 11
Columbus 11
Guangzhou 11
Lahore 11
Medellín 11
Den Haag 10
Guarulhos 10
Mumbai 10
Pune 10
Recife 10
Seattle 10
Council Bluffs 9
Curitiba 9
Fortaleza 9
Bogotá 8
Campinas 8
Caracas 8
Totale 13.026
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Nome #
Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules 168
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 156
13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes 153
Weak Halogen Bond in Gas-Phase Systems: Molecular Beam Scattering Experiments and Ab-Initio Calculations 150
Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment 145
Molecular-beam study of the ammonia–noble gas systems: Characterization of the isotropic interaction and insights into the nature of the intermolecular potential 140
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 132
Ab initio block-Lanczos calculation of the Auger spectra of SiF$_4$: strong two-hole localization effects and foreign imaging 125
Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy 125
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry 121
Reactive dynamics from the hyperspherical perspective: ab initio potential energy surface and kinetic paths for the O (3P) + H2 reaction 119
A CI investigation on the core ionized and core-rydberg excited states of NH2 118
A CI investigation of the core ionized states derived from 1A1 and 3B1 methylene 116
All ab initio Auger spectra of HF and LiF: energies, intensities and vibrational shifts and broadenings 115
A theoretical investigation of the copper-super-oxide system. A model for the mechanism of copper-zinc superoxide dismutase 115
Benchmarking a model potential to investigate intermolecular interactions 113
A Green’s function study and a configuration interaction investigation on the doubly ionized statesof H2O 113
Penning ionization of N2O molecules by He* (2 3,1S) and Ne* (3P2,0) metastable atoms: A crossed beam study 112
Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes 111
An experimental and theoretical investigation on the effect of the substituent in the monohalo derivatives of the C2H4 molecule 109
Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems 109
A DFT investigation of base-catalyzed β-elimination reactions in water solution for systems activated by the pyridine ring: Theory vs. Experiment 109
A photoelectron and double photoionization study of the valence electronic structure of 1,4-bromofluorobenzene 108
Computing molecular energy surfaces on a grid 108
A CI investigation on the ionized states of BeH2 108
Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations 108
A quantitative view of charge transfer in the hydrogen bond: the water dimer case 108
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond 108
A non-empirical LCAO MO SCF investigation of the ground and core hole states of some simple AH2 systems 107
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 107
A theoretical study on the co-ordination of dinitrogen and related molecules to nickel(0): ab initio calculations on the model compounds [Ni(PH3)2(N2)], [Ni(PH3)2(N2CH2)], and [Ni(PH3)2(N2H2)] 105
A theoretical investigation of the ground and core hole states of [Cu(NH3)2CO]+ and [Cu(NH3)3 CO]+. Models for the reversible binding of CO to Cu(I) complexes 105
Aggregation state effect in Auger spectroscopy. The fluorine KLL spectrum of KF 105
Dioxygen insertion into the gold(I)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition 105
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis 105
An efficient parallel all-electron 4-component Dirac-Kohn-Sham method using a distributed matrix approach 104
An indirect approach to the determination of the nuclear quadrupole moment by 4-component relativistic DFT in molecular calculations 102
Charge-displacement analysis for excited states 102
Linear algebra computation benchmarks on a model grid platform 102
Block Lanczos and many-body theory: Application to the one-particle Green's function 101
An (e,2e) spectroscopic investigation and a Green’s function study of the ionization of fluoroethylene 101
Many dicationic states and two-hole population analysis as a bridge to Auger spectra: strong local-ization phenomena in BF3 101
Advances in Charge Displacement Analysis 101
Full Parallel Implementation of an All-Electron Four-Component Dirac–Kohn–Sham Program 101
Ionization of fluoromethanes: CHF3 and CF4. A Green's function study and an (e,2e) spectroscopic investigation 100
(e,2e) spectroscopy of silicon compounds. Ionization potentials and electron momentum distributions for valence shell orbitals of SiF4 100
Calcolo della struttura elettronica di grandi sistemi molecolari, aggregati, cluster e sistemi estesi con metodi quantistici ab initio 100
Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases 100
Intermolecular Interaction in the H2S–H2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations 99
A combined NMR/DFT study on the ion pair structure of [(PR12R2)Au([small eta]2-3-hexyne)]BF4 complexes 99
Theoretical investigations of molecular triple ionization spectra 98
Charge transfer energy in the water-hydrogen molecular aggregate probed by molecular-beam scattering experiments, charge displacement analysis, and ab-initio calculations 98
Ionization of N 2 O molecules by collision with He * ( 3,1 S) and Ne * ( 3 P 2,0 ) metastable atoms 97
An (e,2e) spectroscopic investigation and a Green’s function study of the ionization of chloro- andbromo-ethylene 97
pKa of zinc-bound water and nucleophilicity of hydroxo-containing species. Ab initio calculations on models for zinc-enzymes 97
A theoretical investigation on the activation of dinitrogen 97
Revealing Charge Transfer in Gas-Phase: Systems with Halogen and Hydrogen Bonds 97
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation 97
Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory 97
Highly excited electronic states of molecular clusters and their decay 96
Merging of E2 and E1cb reaction mechanisms: a combined theoretical and experimental study 96
A Phosphine Gold(I) pi-Alkyne Complex: Tuning Metal-Alkyne Bond Character and Counterion Position by the Choice of the Ancillary Ligand 96
Adiabatic and non-adiabatic effects of nuclear dynamics in spectra of decaying states: Auger spectrum of HF 95
Ionization of Luorinated methanes and ethilenes through (e,2e) process and Green's function approach to predict ionization potentials 95
Ab initio calculations on model systems miming molecular batteries 95
Ab initio calculations on model systems miming molecular batteries 95
Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry 95
Dynamical core-hole screening in weak chemisorption systems 94
A theoretical investigation on the electronic structure of Cp6Ti6O8-nCln clusters ( n = 0, 2, 4, 6, 8 ) 94
A theoretical investigation on the interaction of formaldehyde with transition metal complexes 94
The Role of Electronic Distribution and Charge Trasfer in Weak Halogen Bond by Molecular Beam Scattering Experiments and Ab-initio Calculations 93
Interaction components in HX2+ bond 92
The ligand effect on the oxidative addition of dioxygen to gold(I)–hydride complexes 92
Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects 92
An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes 92
Evidence of a borderline region between E1cb and E2 elimination reaction mechanisms: a combined experimental and theoretical study of systems activated by the pyridine ring 91
Valence ionization of HCl. An investigation of many-body effects 91
Ligand Effect on Bonding in Gold(III) Carbonyl Complexes 91
Efficient parallel all-electron 4-component Dirac-Kohn-Sham program using a distributed matrix approach. II 91
On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules 90
An Xalpha investigation of photoelectron spectra and bond structure of fluorides and oxyfluorides of nitrogen and phosphorus 90
The electronic structure of TiCl4 and VCl4 by MS-SCF-Xalpha method. Assignment of photo-electron and electronic spectra 90
A theoretical investigation on the interaction of formaldehyde with transition metal 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
An experimental ESCA investigation of some copper complexes involving CO 89
Disentanglement of donation and back-donation effects on experimental observables. A case study for gold-ethyne complexes 89
Cyclization of 2-Alkynyldimethylaniline on Gold(I) Cationic and Neutral Complexes 89
On the existence of free doubly negative molecular ions 88
An ab initio study on the coordination of formaldehyde, carbon dioxide, dinitrogen and related molecules to iron(0) and nickel(0) fragments 88
The halogen-bond nature in noble gas-dihalogen complexes from scattering experiments and Ab initio calculations 88
Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method 87
Charge transfer in beryllium bonds and cooperativity of beryllium and halogen bonds. A new perspective 87
Strong electron-donating ligands accelerate the protodeauration step in gold(I)-catalyzed reactions: a quantitative understanding of the ligand effect 87
Cooperative role of halogen and hydrogen bonding in the stabilization of water adducts with apolar molecules 87
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 87
Autoionization widths by Stieltjes imaging applied to Lanczos pseudospectra 87
Ab initio molecular dynamics simulations of elimination reactions in water solution: exploring the borderline region between the E1cb and E2 reaction mechanisms 86
Double photoionization of thiophene and bromine-substituted thiophenes 86
F. Tarantelli, L.S. CederbaumOn the choice of orbital bases for configuration interaction 86
Totale 10.319
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Categoria #
all - tutte 101.124
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 101.124
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20222.215 51 409 47 106 70 22 26 692 37 150 211 394
2022/20233.890 308 512 62 326 320 579 5 179 1.426 5 113 55
2023/20241.126 108 155 60 16 11 10 210 18 156 31 185 166
2024/20253.045 35 328 62 136 462 105 42 191 672 179 563 270
2025/20266.619 479 380 371 1.002 792 595 1.111 326 792 581 123 67
2026/202777 77 0 0 0 0 0 0 0 0 0 0 0
Totale 21.917