ArTS Archivio della ricerca di Trieste

TOFFOLI, DANIELE
 Distribuzione geografica
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Continente #
NA - Nord America 9.048
AS - Asia 4.194
EU - Europa 3.857
SA - Sud America 683
AF - Africa 104
OC - Oceania 17
Continente sconosciuto - Info sul continente non disponibili 5
Totale 17.908
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Nazione #
US - Stati Uniti d'America 8.948
SG - Singapore 1.515
CN - Cina 974
PL - Polonia 911
IT - Italia 692
BR - Brasile 545
SE - Svezia 468
HK - Hong Kong 448
VN - Vietnam 398
UA - Ucraina 339
FR - Francia 252
KR - Corea 232
DE - Germania 212
TR - Turchia 211
FI - Finlandia 178
RU - Federazione Russa 173
GB - Regno Unito 124
BG - Bulgaria 114
IE - Irlanda 113
NL - Olanda 94
IN - India 86
AR - Argentina 48
CA - Canada 41
BD - Bangladesh 36
JP - Giappone 36
IQ - Iraq 34
MX - Messico 34
AT - Austria 32
CH - Svizzera 32
ZA - Sudafrica 30
ID - Indonesia 29
MA - Marocco 26
MY - Malesia 24
PK - Pakistan 24
DK - Danimarca 23
BE - Belgio 22
EC - Ecuador 21
PH - Filippine 19
CO - Colombia 18
AE - Emirati Arabi Uniti 17
SA - Arabia Saudita 16
ES - Italia 14
VE - Venezuela 14
CZ - Repubblica Ceca 13
PT - Portogallo 13
AU - Australia 12
EG - Egitto 12
CL - Cile 11
IL - Israele 11
RO - Romania 10
UZ - Uzbekistan 10
JO - Giordania 9
PE - Perù 8
AZ - Azerbaigian 7
DZ - Algeria 7
GE - Georgia 7
IR - Iran 7
KZ - Kazakistan 7
SN - Senegal 7
PY - Paraguay 6
UY - Uruguay 6
AL - Albania 5
BO - Bolivia 5
JM - Giamaica 5
KE - Kenya 5
TH - Thailandia 5
LV - Lettonia 4
NP - Nepal 4
PA - Panama 4
BH - Bahrain 3
CR - Costa Rica 3
EU - Europa 3
HU - Ungheria 3
KG - Kirghizistan 3
KW - Kuwait 3
LB - Libano 3
LK - Sri Lanka 3
MU - Mauritius 3
NG - Nigeria 3
NI - Nicaragua 3
NZ - Nuova Zelanda 3
OM - Oman 3
RS - Serbia 3
TN - Tunisia 3
A2 - ???statistics.table.value.countryCode.A2??? 2
BA - Bosnia-Erzegovina 2
BY - Bielorussia 2
CI - Costa d'Avorio 2
DO - Repubblica Dominicana 2
ET - Etiopia 2
GR - Grecia 2
HN - Honduras 2
KH - Cambogia 2
MD - Moldavia 2
PG - Papua Nuova Guinea 2
TT - Trinidad e Tobago 2
AM - Armenia 1
BW - Botswana 1
CG - Congo 1
CU - Cuba 1
Totale 17.890
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Città #
Fairfield 1.035
Singapore 981
Woodbridge 919
Ashburn 835
Warsaw 799
Ann Arbor 707
Houston 616
Chandler 482
San Jose 456
Seattle 446
Hong Kong 434
Wilmington 430
Cambridge 342
Jacksonville 333
Trieste 297
Beijing 258
Seoul 229
Hefei 209
Princeton 192
Izmir 164
Boardman 154
Chicago 134
Ho Chi Minh City 133
Columbus 121
Dallas 117
Lauterbourg 114
Dublin 112
Sofia 111
Los Angeles 102
Zgierz 102
Moscow 88
Hanoi 85
Santa Clara 77
Munich 57
Council Bluffs 51
São Paulo 51
Buffalo 49
The Dalles 49
San Diego 44
Dearborn 42
Frankfurt am Main 41
New York 36
Bremen 33
Milan 31
Phoenix 31
Des Moines 28
Falls Church 28
London 28
Marseille 28
Tokyo 28
Vienna 27
Düsseldorf 25
Helsinki 25
Shanghai 24
Bern 23
Da Nang 22
Guangzhou 21
Atlanta 20
Lappeenranta 20
Brussels 19
Redmond 19
Haiphong 18
Rio de Janeiro 18
Johannesburg 17
Redondo Beach 17
Baghdad 16
Dong Ket 16
Norwalk 16
Nuremberg 16
Ankara 15
Casablanca 15
Copenhagen 14
Dongguan 14
Istanbul 14
Washington 14
Dubai 13
Montreal 13
Orem 13
Amsterdam 12
Nanjing 12
Rome 12
Udine 12
Riyadh 11
Toronto 11
Curitiba 10
Denver 10
Hangzhou 10
Islamabad 10
Kunming 10
Pisa 10
San Francisco 10
Verona 10
Brasília 9
Cascina 9
Chennai 9
Falkenstein 9
Mumbai 9
Tashkent 9
Turku 9
Boston 8
Totale 12.994
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Nome #
Electronic properties of the boroxine–gold interface: evidence of ultra-fast charge delocalization 440
Dynamical effects in the vibrationally resolved C 2s-1 photoionization cross section ratios of Methane 385
Effect of Platinum, Gold, and Potassium Additives on the Surface Chemistry of CdI2-Antitype Mo2C 327
Chirality in bare and ligand-protected metal nanoclusters 312
Density functional theory for molecular multiphoton ionization in the perturbative regime 311
Electronic Structure Characterization of a Thiophene Benzo-Annulated Series of Common Building Blocks for Donor and Acceptor Compounds Studied by Gas Phase Photoelectron and Photoabsorption Synchrotron Spectroscopies 232
Photoionization Cross Section and angular Distribution Calculations on Carbon Tetrafluoride 224
Pd doping, conformational, and charge effects on the dichroic response of a monolayer protected Au38(SR)24 nanocluster 223
Extension of the Time-Dependent Density Functional Complex Polarizability Algorithm to Circular Dichroism: Implementation and Applications to Ag8 and Au38(SC2H4C6H5)24 220
Photoelectron Angular Distributions Beyond the Dipole Approximation. A Computational Study on the N2 Molecule 210
Appearance of plasmons in fullerenes 209
An adaptive density-guided approach for the generation of potential energy surfaces of polyatomic molecules 205
A Multichannel Least-Squares B-Spline Approach to Molecular Photoionization: Theory, Implementation, and Applications within the Configuration-Interaction Singles Approximation 204
Correlation effects in B1s core-excited states of boronic-acid derivatives: An experimental and computational study 201
Spin-orbit-activated interchannel coupling in the 3d photoionization of barium atoms 201
Bis(triisopropylsilylethynyl)pentacene/Au(111) interface: Coupling, molecular orientation, and thermal stability 197
Time-dependent density-functional study of the photoabsorption spectrum of Au25(SC2H4C6H5)18 anion: Validation of the computational protocol 194
Density Functional Theory for the Photoionization Dynamics of Uracil. 193
Automatic generation of potential energy and property surfaces of polyatomic molecules in normal coordinates 193
Shape and Feshbach resonances in inner-shell photodetachment of negative ions 185
Time Dependent Density Functional investigation of the near-edge absorption spectra of V2O5 184
Accurate multimode vibrational calculations using a B-spline basis: Theory, tests and application to dioxirane and diazirinone 182
Experimental and Theoretical Photoemission Study of Indole and Its Derivatives in the Gas Phase 182
A Multicentric Approach to the Calculation of Non dipolar Effects in Molecular Photoemission 181
Nondipolar effects in the photoionization dynamics of carbon tetrafluoride 180
Cross-section and asymmetry-parameter calculations for the outer- and inner-valence photoionization of ethane 180
Individual Component Map of Rotatory Strength and Rotatory Strength Density Plots As Analysis Tools of Circular Dichroism Spectra of Complex Systems 180
Modeling of Nanostructures 179
S 2p and P 2p Core Level Spectroscopy of PPT Ambipolar Material and Its Building Block Moieties 179
Combined effect of point defects and layer number on the adsorption of benzene and toluene on graphene 178
Multiphoton core ionization dynamics of polyatomic molecules 177
Using electronic energy derivative information in automated potential energy surface construction for vibrational calculations 177
On-Surface Synthesis of Boroxine-Based Molecules 177
Molecular frame and recoil frame photoelectron angular distributions from dissociative photoionization of NO2 176
Application of the Time-Dependent Density Functional Theory to the Photoionization of Xe 173
A virtual vibrational self-consistent-field method for efficient calculation of molecular vibrational partition functions and thermal effects on molecular properties 173
Carbon and Nitrogen K-Edge NEXAFS Spectra of Indole, 2,3-Dihydro-7-azaindole, and 3-Formylindole 173
Active role of the support in NOx storage and reductioncatalytic systems 170
First-principles investigation of NO x and SO x adsorption on anatase-supported BaO and Pt overlayers 169
Further investigation of intramolecular H-bonding in benzimidazole and EDOT containing monomer 165
Vibrational contributions to indirect spin-spin coupling constants calculated via variational anharmonic approaches 165
S2p core level spectroscopy of short chain oligothiophenes 165
Ab initio potential energy and dipole moment surfaces of the F -(H2O) complex 164
Electronic properties of the axial Co–C and Co–S bonds in B12 systems – a density functional study 163
Near threshold photoionization of the ground and first excited states of C 2 163
Valence and Core Photoemission in M@C60 (M=Be, Mg, Ca) 162
Similarities and differences between cobalamins and cobaloximes. Accurate structural determination of methylcobalamin and of LiCl- and KCl-containing cyanocobalamins by synchrotron radiation 161
A hierarchy of potential energy surfaces constructed from energies and energy derivatives calculated on grids 161
Electrochromic properties of multicolored novel polymer synthesized via combination of benzotriazole and N-functionalized 2,5-di(2-thienyl)-1H-pyrrole units 161
Instability of a Noncrystalline NaO2 Film in Na-O2 Batteries: The Controversial Effect of the RuO2 Catalyst 161
Valence electronic structure and conformational flexibility of Epichlorohydrin 158
Effect of ion-exchange on structural, electronic, and vibrational properties of the-O-Ti-O-Ti-O-quantum wires in ETS-10 158
The dipole and non dipole parameters of the N K shell of the N2 molecule up to 80eV above threshold 157
Methylamine terminated molecules on Ni(1 1 1): A path to low temperature synthesis of nitrogen-doped graphene 157
Multiscale Self-Assembly of Silicon Quantum Dots into an Anisotropic Three-Dimensional Random Network 156
Convergence of the multicenter B-spline DFT approach for the continuum 155
3d Photoionization along the Xenon isoelectronic series 155
Towards understanding the electronic structure and ion fragmentation patterns of indole and related compounds 155
Covalent and noncovalent functionalization of pristine and defective graphene by cyclohexane and dehydrogenated derivatives 153
Understanding the effects of ion-exchange in titanosilicate ETS-10: A joint theoretical and experimental study 153
Least squares B-spline solutions of the radial Dirac equation in the continuum 152
Time Dependent Density Functional Photoionization of CH4, NH 3, H2O and HF 152
New formulation and implementation of vibrational self-consistent field theory 151
An efficient hybrid scheme for time dependent density functional theory 151
Computational NEXAFS Characterization of Molecular Model Systems for 2D Boroxine Frameworks 147
Recent advances in molecular photoionization by density functional theory based approaches 147
Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F -(H 2O) complex 147
PPT Isolated Molecule and Its Building Block Moieties Studied by C1s and O 1s Gas Phase X‑ray Photoelectron and Photoabsorption Spectroscopies 144
Comparative Analysis of Reactant and Product Adsorption Energies in the Selective Oxidative Coupling of Alcohols to Esters on Au(111) 142
Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method 139
Symmetry- And multiplet-resolved N 1s photoionization cross sections of the NO2 molecule 136
Computational characterization of the HOMO-2 photoemission intensity oscillations in C60 135
Insights into surface-adsorbate interactions in corrosion inhibition processes at the molecular level 135
Partial photoionization cross sections of C60 and C70: a gas versus adsorbed phase comparison 134
Accurate Vertical Excitation Energies of BODIPY/Aza-BODIPY Derivatives from Excited-State Mean-Field Calculations 133
Time Dependent Density Functional study of the photoionization dynamics of SF6 133
Coupling between Plasmonic and Molecular Excitations: TDDFT Investigation of an Ag-Nanorod/BODIPY-Dye Interaction 129
Photoelectron diffraction in methane probed via vibrationally resolved inner-valence photoionization cross-section ratios 126
Dichroism of plasmonic chiral nanoalloys by rational design 124
Interference effects in photoelectron asymmetry parameter (β) trends of C 2s-1 states of ethyne, ethene and ethane 123
Photoelectron trapping in N 2 O 7σ→kσ resonant ionization 122
Potential energy surfaces for vibrational structure calculations from a multiresolution adaptive density-guided approach: Implementation and test calculations 122
Nanotribological Properties of the h-BN/Au(111) Interface: A DFT Study 121
Photoionization of mercury: A relativistic time-dependent density-functional-theory approach 120
Oxygen-Promoted on-Surface Synthesis of Polyboroxine Molecules 120
Photoabsorption and photoionization dynamics study of silicon tetrafluoride in the framework of time-dependent density-functional theory 116
Theoretical Investigation of Photoinduced Processes in Subnanometer Oxide-Supported Metal Catalysts 116
A Resolution of Identity Technique to Speed up TDDFT with Hybrid Functionals: Implementation and Application to the Magic Cluster Series Au8n+4(SC6H5)4n+8 (n = 3–6) 115
β-Fluorinated Paraconic Acid Derivatives: Synthesis and Fluorine Stereoelectronic Effects 115
The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral Au38(SC2H4Ph)24 Cluster 114
Photoionization Dynamics of the Tetraoxo Complexes OsO4 and RuO4 114
Circularly Polarized Plasmons in Chiral Gold Nanowires via Quantum-Mechanical Design 113
Structural and electronic properties of bulk and low-index surfaces of zincblende PtC 112
Shape resonances in K -shell photodetachment of small size-selected clusters: Experiment and theory 111
Probing Intermolecular H-Bonding Interactions in Cyanuric Acid Networks: Quenching of the N K-Edge Sigma Resonances 111
Core-level spectroscopic probing of the heteromolecular H-bonding interaction in cyanuric Acid/Melamine 2D networks 111
Predictive optical photoabsorption of Ag24Au(DMBT)18-via efficient TDDFT simulations 104
Inter‐ and intra‐molecular charge redistributions in H‐bonded Cyanuric Acid*Melamine (CA*M) networks: insight from core level spectroscopy and natural bond orbital analysis 103
Revealing the electronic properties of the B-B bond: The bis-catecholato diboron molecule 102
Angular dependent time delay near correlation induced Cooper minima 97
Totale 16.623
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Categoria #
all - tutte 54.983
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 54.983
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021348 0 0 0 0 0 0 0 0 0 124 64 160
2021/20221.158 67 55 43 82 34 76 62 52 177 154 85 271
2022/20231.586 168 168 102 185 199 310 16 149 173 7 76 33
2023/2024890 71 48 47 42 85 108 106 218 7 30 83 45
2024/20252.337 32 129 164 168 180 296 148 191 245 283 188 313
2025/20265.110 528 315 488 527 488 491 760 205 629 679 0 0
Totale 18.375