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

TARANTELLI, Francesco
 Distribuzione geografica
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Continente #
NA - Nord America 6.246
EU - Europa 4.619
AS - Asia 1.687
Continente sconosciuto - Info sul continente non disponibili 10
SA - Sud America 8
OC - Oceania 5
AF - Africa 1
Totale 12.576
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Nazione #
US - Stati Uniti d'America 6.228
UA - Ucraina 1.237
IE - Irlanda 1.077
SG - Singapore 601
SE - Svezia 593
IT - Italia 573
VN - Vietnam 417
HK - Hong Kong 347
FI - Finlandia 301
DE - Germania 262
RU - Federazione Russa 262
CN - Cina 212
GB - Regno Unito 94
FR - Francia 53
TR - Turchia 43
CH - Svizzera 41
BE - Belgio 32
KR - Corea 28
AT - Austria 22
NL - Olanda 15
UZ - Uzbekistan 14
LB - Libano 13
CZ - Repubblica Ceca 12
CA - Canada 10
EU - Europa 10
GR - Grecia 10
PL - Polonia 10
PT - Portogallo 10
RO - Romania 6
BR - Brasile 5
MX - Messico 5
IR - Iran 4
JP - Giappone 4
AU - Australia 3
CL - Cile 3
ES - Italia 2
NO - Norvegia 2
NZ - Nuova Zelanda 2
AE - Emirati Arabi Uniti 1
CM - Camerun 1
CR - Costa Rica 1
GT - Guatemala 1
HR - Croazia 1
IL - Israele 1
IS - Islanda 1
JM - Giamaica 1
KZ - Kazakistan 1
LT - Lituania 1
LV - Lettonia 1
PK - Pakistan 1
SK - Slovacchia (Repubblica Slovacca) 1
Totale 12.576
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Città #
Chandler 1.155
Dublin 1.077
San Mateo 670
Jacksonville 599
Singapore 476
Dong Ket 417
Boardman 404
Hong Kong 347
Santa Clara 279
Wilmington 277
Medford 276
Princeton 276
Des Moines 238
Ann Arbor 203
Perugia 200
Altamura 175
Andover 172
Lawrence 151
Beijing 86
Saint Petersburg 81
Norwalk 54
Redmond 49
Izmir 43
Helsinki 42
Ashburn 37
Brussels 32
Los Angeles 30
San Paolo di Civitate 30
Seoul 26
Falls Church 22
Woodbridge 20
Bologna 17
Moscow 17
Shanghai 17
Redwood City 15
New York 11
Den Haag 10
Milan 10
Rome 9
Dallas 8
Frankfurt Am Main 8
Chicago 7
Tappahannock 7
Toronto 7
Auburn Hills 6
Ludwigshafen 6
Edinburgh 5
Kiev 5
Philadelphia 5
Frankfurt am Main 4
Lausanne 4
London 4
Miami 4
Padova 4
Paris 4
Simi Valley 4
Timisoara 4
Berlin 3
Fremont 3
Hanover 3
Hebei 3
Mcallen 3
Nanning 3
Nürnberg 3
Phoenix 3
Pisa 3
San Diego 3
Seattle 3
Tokyo 3
Abano Terme 2
Ariccia 2
Assisi 2
Buffalo 2
Città Di Castello 2
Clearwater 2
Fairfield 2
Fiumicino 2
Houston 2
Isfahan 2
Montréal 2
Olomouc 2
Prague 2
Siena 2
Torgiano 2
Udine 2
Usingen 2
Valladolid 2
Almaty 1
Arco 1
Atlanta 1
Auckland 1
Belsize Park 1
Bratislava 1
Cascais 1
Changsha 1
Changzhou 1
Chongqing 1
Christchurch 1
Clifton 1
Corsico 1
Totale 8.231
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Nome #
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
Reactive dynamics from the hyperspherical perspective: ab initio potential energy surface and kinetic paths for the O (3P) + H2 reaction 90
Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy 87
All ab initio Auger spectra of HF and LiF: energies, intensities and vibrational shifts and broadenings 85
Aggregation state effect in Auger spectroscopy. The fluorine KLL spectrum of KF 84
A theoretical investigation of the copper-super-oxide system. A model for the mechanism of copper-zinc superoxide dismutase 83
Many dicationic states and two-hole population analysis as a bridge to Auger spectra: strong local-ization phenomena in BF3 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 83
Ab initio block-Lanczos calculation of the Auger spectra of SiF$_4$: strong two-hole localization effects and foreign imaging 79
Adiabatic and non-adiabatic effects of nuclear dynamics in spectra of decaying states: Auger spectrum of HF 78
Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis 77
Penning ionization of N2O molecules by He* (2 3,1S) and Ne* (3P2,0) metastable atoms: A crossed beam study 73
An experimental and theoretical investigation on the effect of the substituent in the monohalo derivatives of the C2H4 molecule 71
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry 71
Highly excited electronic states of molecular clusters and their decay 70
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 70
Benchmarking a model potential to investigate intermolecular interactions 69
Block Lanczos and many-body theory: Application to the one-particle Green's function 68
An (e,2e) spectroscopic investigation and a Green’s function study of the ionization of chloro- andbromo-ethylene 68
An ab initio study on the coordination of formaldehyde, carbon dioxide, dinitrogen and related molecules to iron(0) and nickel(0) fragments 68
A CI investigation on the core ionized and core-rydberg excited states of NH2 67
A Green’s function study and a configuration interaction investigation on the doubly ionized statesof H2O 67
Theoretical investigations of molecular triple ionization spectra 66
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 66
pKa of zinc-bound water and nucleophilicity of hydroxo-containing species. Ab initio calculations on models for zinc-enzymes 65
Dynamical core-hole screening in weak chemisorption systems 64
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis 64
An (e,2e) spectroscopic investigation and a Green’s function study of the ionization of fluoroethylene 63
A CI investigation of the core ionized states derived from 1A1 and 3B1 methylene 63
A non-empirical LCAO MO SCF investigation of the ground and core hole states of some simple AH2 systems 62
Study of the interaction between iron(0) and dinitrogen: “ab initio” calculations on the model compound Fe(PH3)4(N2) 62
An experimental ESCA investigation of some copper complexes involving CO 62
Dicationic states of hydrocarbons and a statistical approach to their Auger spectra 62
A CI investigation on the ionized states of BeH2 62
Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry 62
Double vacancies in the core of benzeneThe Journal of Chemical Physics 86, 2168 (1987) 61
Band shape and vibrational structure in Auger spectra: Theory and application to carbon monoxide 61
Ionization of fluoromethanes: CHF3 and CF4. A Green's function study and an (e,2e) spectroscopic investigation 61
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
Ab initio calculation of energies and lifetimes of metastable dianions: The C2— resonance 61
Strong dynamical screening in weak chemisorption systems 60
A photoelectron and double photoionization study of the valence electronic structure of 1,4-bromofluorobenzene 60
Interaction between iron(0) and formaldehyde, thioformaldehyde, and acetone: ab initio calculations on the model compounds Fe(CO)2(PH3)2(.eta.2-CH2O), Fe(CO)2(PH3)2(.eta.2-CH2S), Fe(PH3)4(.eta.2-CH2O), and Fe(PH3)4(.eta.2-CMe2O) 60
An efficient parallel all-electron 4-component Dirac-Kohn-Sham method using a distributed matrix approach 60
Linear algebra computation benchmarks on a model grid platform 60
All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements 59
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)] 59
Ab initio calculations on model systems miming molecular batteries 59
A theoretical investigation on the electronic structure of Cp6Ti6O8-nCln clusters ( n = 0, 2, 4, 6, 8 ) 59
A theoretical investigation on the interaction of formaldehyde with transition metal complexes 59
Intermolecular Interaction in the H2S–H2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations 59
Tracing electron solvation in Li-(NH3)n clusters with K-shell photodetachment spectroscopy 59
A quantitative view of charge transfer in the hydrogen bond: the water dimer case 59
Studio di Spettroscopia Elettronica e di Spettrometria di Massa nella Ionizzazione Penning di molecole di H2O e N2O 58
Core-valence doubly ionized states: general aspects, examples, production mechanisms 58
Charge transfer energy in the water-hydrogen molecular aggregate probed by molecular-beam scattering experiments, charge displacement analysis, and ab-initio calculations 58
An Xalpha investigation of photoelectron spectra and bond structure of fluorides and oxyfluorides of nitrogen and phosphorus 58
Ionization of Luorinated methanes and ethilenes through (e,2e) process and Green's function approach to predict ionization potentials 58
Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems 58
Ionization of N 2 O molecules by collision with He * ( 3,1 S) and Ne * ( 3 P 2,0 ) metastable atoms 57
Ab initio calculations of the copper(2+)-O2- interaction as a model for the mechanism of copper/zinc superoxide dismutase 57
Valence ionization of HCl. An investigation of many-body effects 57
A theoretical investigation on the interaction of formaldehyde with transition metal complexes 57
A theoretical investigation on the activation of dinitrogen 57
Revealing Charge Transfer in Gas-Phase: Systems with Halogen and Hydrogen Bonds 57
Interaction components in HX2+ bond 56
The electronic structure of TiCl4 and VCl4 by MS-SCF-Xalpha method. Assignment of photo-electron and electronic spectra 56
Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations 56
Triple ionization of carbon monoxide 55
On the existence of free doubly negative molecular ions 55
Foreign-imaging in Auger spectroscopy: the Si 2p spectrum of silicon tetrafluoride 55
(e,2e) spectroscopy of silicon compounds. Ionization potentials and electron momentum distributions for valence shell orbitals of SiF4 55
Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method 55
Autoionization widths by Stieltjes imaging applied to Lanczos pseudospectra 55
Interatomic Coulombic decay and its dynamics in NeAr following K-LL Auger transition in the Ne atom 54
The Auger spectroscopy of pyrimidine and halogen-substituted pyrimidines 54
On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules 54
Orbital coupling in double-vacancy and two-electron systems 54
Calcolo della struttura elettronica di grandi sistemi molecolari, aggregati, cluster e sistemi estesi con metodi quantistici ab initio 54
Ab initio calculations on the copper (II) - superoxide ion interaction: a model for copper-zinc superoxide dismutase 54
Modelling Charge Transfer in Weak Chemical Bonds: Insights from the Chemistry of Helium 54
Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes 54
Merging of E2 and E1cb reaction mechanisms: a combined theoretical and experimental study 53
Charge-displacement analysis for excited states 53
Ab initio molecular dynamics simulations of elimination reactions in water solution: exploring the borderline region between the E1cb and E2 reaction mechanisms 52
Recent developments in the calculation of molecular Auger spectra 52
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation 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
Ionization of CH4 and some fluoromethanes: a Green’s function study and an (e,2e) spectroscopic investigation 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
Totale 6.420
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Categoria #
all - tutte 58.702
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 58.702
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020637 0 0 0 0 0 14 213 10 201 120 19 60
2020/20212.454 8 194 85 201 718 99 149 3 298 60 193 446
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
2024/20251.124 35 328 62 136 462 101 0 0 0 0 0 0
Totale 13.300