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

TARANTELLI, Francesco
 Distribuzione geografica
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Continente #
NA - Nord America 5.552
EU - Europa 4.568
AS - Asia 963
Continente sconosciuto - Info sul continente non disponibili 10
SA - Sud America 7
OC - Oceania 3
AF - Africa 1
Totale 11.104
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Nazione #
US - Stati Uniti d'America 5.543
UA - Ucraina 1.237
IE - Irlanda 1.076
SE - Svezia 593
IT - Italia 554
VN - Vietnam 417
HK - Hong Kong 346
FI - Finlandia 292
RU - Federazione Russa 262
DE - Germania 252
CN - Cina 112
GB - Regno Unito 91
FR - Francia 53
TR - Turchia 43
CH - Svizzera 41
BE - Belgio 30
AT - Austria 22
NL - Olanda 14
UZ - Uzbekistan 14
LB - Libano 13
EU - Europa 10
GR - Grecia 10
PL - Polonia 10
PT - Portogallo 10
CZ - Repubblica Ceca 9
CA - Canada 6
KR - Corea 6
RO - Romania 6
SG - Singapore 6
BR - Brasile 4
CL - Cile 3
JP - Giappone 3
ES - Italia 2
IR - Iran 2
MX - Messico 2
NO - Norvegia 2
NZ - Nuova Zelanda 2
AU - Australia 1
CM - Camerun 1
GT - Guatemala 1
IS - Islanda 1
PK - Pakistan 1
SK - Slovacchia (Repubblica Slovacca) 1
Totale 11.104
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Città #
Chandler 1.155
Dublin 1.076
San Mateo 670
Jacksonville 599
Dong Ket 417
Hong Kong 346
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
Boardman 76
Norwalk 54
Redmond 49
Izmir 43
Helsinki 33
Brussels 30
San Paolo di Civitate 30
Los Angeles 28
Ashburn 25
Falls Church 22
Woodbridge 20
Moscow 17
Bologna 15
Redwood City 15
Den Haag 10
New York 10
Milan 9
Shanghai 9
Frankfurt Am Main 8
Chicago 7
Rome 7
Tappahannock 7
Auburn Hills 6
Ludwigshafen 6
Edinburgh 5
Kiev 5
Philadelphia 5
Lausanne 4
Padova 4
Paris 4
Seoul 4
Simi Valley 4
Timisoara 4
Fremont 3
Hanover 3
Hebei 3
Mcallen 3
Nanning 3
Nürnberg 3
Pisa 3
San Diego 3
Seattle 3
Toronto 3
Abano Terme 2
Ariccia 2
Assisi 2
Buffalo 2
Città Di Castello 2
Clearwater 2
Fairfield 2
Fiumicino 2
Houston 2
Isfahan 2
London 2
Montréal 2
Siena 2
Singapore 2
Tokyo 2
Torgiano 2
Udine 2
Usingen 2
Valladolid 2
Arco 1
Atlanta 1
Auckland 1
Belsize Park 1
Bratislava 1
Cascais 1
Changsha 1
Christchurch 1
Corsico 1
Dallas 1
Düsseldorf 1
Esslingen am Neckar 1
Foligno 1
Frontera 1
Genova 1
Guatemala City 1
Halle 1
Hefei 1
Hunedoara 1
Ivry-sur-seine 1
Juiz de Fora 1
Totale 7.062
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Nome #
Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules 99
Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment 95
Molecular-beam study of the ammonia–noble gas systems: Characterization of the isotropic interaction and insights into the nature of the intermolecular potential 95
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 92
Weak Halogen Bond in Gas-Phase Systems: Molecular Beam Scattering Experiments and Ab-Initio Calculations 90
Reactive dynamics from the hyperspherical perspective: ab initio potential energy surface and kinetic paths for the O (3P) + H2 reaction 84
13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes 84
Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy 81
Aggregation state effect in Auger spectroscopy. The fluorine KLL spectrum of KF 80
All ab initio Auger spectra of HF and LiF: energies, intensities and vibrational shifts and broadenings 79
Many dicationic states and two-hole population analysis as a bridge to Auger spectra: strong local-ization phenomena in BF3 77
A theoretical investigation of the copper-super-oxide system. A model for the mechanism of copper-zinc superoxide dismutase 75
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 73
Adiabatic and non-adiabatic effects of nuclear dynamics in spectra of decaying states: Auger spectrum of HF 72
Ab initio block-Lanczos calculation of the Auger spectra of SiF$_4$: strong two-hole localization effects and foreign imaging 70
Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis 69
Penning ionization of N2O molecules by He* (2 3,1S) and Ne* (3P2,0) metastable atoms: A crossed beam study 67
An experimental and theoretical investigation on the effect of the substituent in the monohalo derivatives of the C2H4 molecule 66
Benchmarking a model potential to investigate intermolecular interactions 63
An (e,2e) spectroscopic investigation and a Green’s function study of the ionization of chloro- andbromo-ethylene 63
An ab initio study on the coordination of formaldehyde, carbon dioxide, dinitrogen and related molecules to iron(0) and nickel(0) fragments 63
Highly excited electronic states of molecular clusters and their decay 62
Block Lanczos and many-body theory: Application to the one-particle Green's function 62
Theoretical investigations of molecular triple ionization spectra 61
Dynamical core-hole screening in weak chemisorption systems 59
A CI investigation on the core ionized and core-rydberg excited states of NH2 59
An experimental ESCA investigation of some copper complexes involving CO 59
pKa of zinc-bound water and nucleophilicity of hydroxo-containing species. Ab initio calculations on models for zinc-enzymes 59
Dicationic states of hydrocarbons and a statistical approach to their Auger spectra 58
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis 58
Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry 58
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 57
A Green’s function study and a configuration interaction investigation on the doubly ionized statesof H2O 57
Double vacancies in the core of benzeneThe Journal of Chemical Physics 86, 2168 (1987) 57
Band shape and vibrational structure in Auger spectra: Theory and application to carbon monoxide 57
Ab initio calculation of energies and lifetimes of metastable dianions: The C2— resonance 57
A CI investigation of the core ionized states derived from 1A1 and 3B1 methylene 56
A non-empirical LCAO MO SCF investigation of the ground and core hole states of some simple AH2 systems 56
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry 56
An (e,2e) spectroscopic investigation and a Green’s function study of the ionization of fluoroethylene 55
Study of the interaction between iron(0) and dinitrogen: “ab initio” calculations on the model compound Fe(PH3)4(N2) 55
Tracing electron solvation in Li-(NH3)n clusters with K-shell photodetachment spectroscopy 55
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond 55
Strong dynamical screening in weak chemisorption systems 54
An Xalpha investigation of photoelectron spectra and bond structure of fluorides and oxyfluorides of nitrogen and phosphorus 54
A CI investigation on the ionized states of BeH2 54
Ionization of fluoromethanes: CHF3 and CF4. A Green's function study and an (e,2e) spectroscopic investigation 54
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 54
Linear algebra computation benchmarks on a model grid platform 54
Studio di Spettroscopia Elettronica e di Spettrometria di Massa nella Ionizzazione Penning di molecole di H2O e N2O 53
Core-valence doubly ionized states: general aspects, examples, production mechanisms 53
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) 53
Ab initio calculations of the copper(2+)-O2- interaction as a model for the mechanism of copper/zinc superoxide dismutase 53
Intermolecular Interaction in the H2S–H2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations 53
Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases 53
Ionization of Luorinated methanes and ethilenes through (e,2e) process and Green's function approach to predict ionization potentials 52
Ab initio calculations on model systems miming molecular batteries 52
Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method 52
Autoionization widths by Stieltjes imaging applied to Lanczos pseudospectra 52
Ionization of N 2 O molecules by collision with He * ( 3,1 S) and Ne * ( 3 P 2,0 ) metastable atoms 51
The electronic structure of TiCl4 and VCl4 by MS-SCF-Xalpha method. Assignment of photo-electron and electronic spectra 51
Foreign-imaging in Auger spectroscopy: the Si 2p spectrum of silicon tetrafluoride 51
A theoretical investigation on the interaction of formaldehyde with transition metal complexes 51
Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems 51
Interaction components in HX2+ bond 50
A photoelectron and double photoionization study of the valence electronic structure of 1,4-bromofluorobenzene 50
The Auger spectroscopy of pyrimidine and halogen-substituted pyrimidines 50
Orbital coupling in double-vacancy and two-electron systems 50
On the existence of free doubly negative molecular ions 50
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)] 50
Ab initio calculations on the copper (II) - superoxide ion interaction: a model for copper-zinc superoxide dismutase 50
Advances in Charge Displacement Analysis 50
Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects 50
Triple ionization of carbon monoxide 49
All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements 49
Charge transfer energy in the water-hydrogen molecular aggregate probed by molecular-beam scattering experiments, charge displacement analysis, and ab-initio calculations 49
A theoretical investigation on the interaction of formaldehyde with transition metal complexes 49
A theoretical investigation on the electronic structure of Cp6Ti6O8-nCln clusters ( n = 0, 2, 4, 6, 8 ) 49
Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations 49
Interatomic Coulombic decay and its dynamics in NeAr following K-LL Auger transition in the Ne atom 48
Recent developments in the calculation of molecular Auger spectra 48
Valence ionization of HCl. An investigation of many-body effects 48
A theoretical investigation on the activation of dinitrogen 48
When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+) 48
An efficient parallel all-electron 4-component Dirac-Kohn-Sham method using a distributed matrix approach 48
Merging of E2 and E1cb reaction mechanisms: a combined theoretical and experimental study 47
Ab initio molecular dynamics simulations of elimination reactions in water solution: exploring the borderline region between the E1cb and E2 reaction mechanisms 47
Auger electron angular distribution of double core-hole states in the molecular reference frame 47
On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules 47
(e,2e) spectroscopy of silicon compounds. Ionization potentials and electron momentum distributions for valence shell orbitals of SiF4 47
Calcolo della struttura elettronica di grandi sistemi molecolari, aggregati, cluster e sistemi estesi con metodi quantistici ab initio 47
Revealing Charge Transfer in Gas-Phase: Systems with Halogen and Hydrogen Bonds 47
Dioxygen insertion into the gold(I)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition 47
F. Tarantelli, L.S. CederbaumOn the choice of orbital bases for configuration interaction 46
Ionization of CH4 and some fluoromethanes: a Green’s function study and an (e,2e) spectroscopic investigation 46
Ab initio calculations on the interaction between iron (0) and carbon dioxide, carbonyl sulphide and carbon disulphide 46
Modelling Charge Transfer in Weak Chemical Bonds: Insights from the Chemistry of Helium 46
Electron Spectroscopy and Mass Spectrometric Study of Penning Ionization of N2O and H2O molecules 46
The Auger spectra of CF_4 in the light of foreign imaging 45
Core hole screening in chemisorption systems: Role of metal-adsorbate π→π* charge transfer 45
Totale 5.738
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Categoria #
all - tutte 42.581
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 42.581
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/201952 0 0 0 0 0 0 0 0 0 0 50 2
2019/20201.029 17 2 200 9 164 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
2023/2024775 108 155 60 16 11 10 210 18 156 31 0 0
Totale 11.825