CNR Institutional Research Information System

FANTACCI, SIMONA
 Distribuzione geografica
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Continente #
AS - Asia 1.966
NA - Nord America 1.764
EU - Europa 611
SA - Sud America 423
Continente sconosciuto - Info sul continente non disponibili 103
AF - Africa 43
OC - Oceania 3
Totale 4.913
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Nazione #
US - Stati Uniti d'America 1.695
SG - Singapore 906
CN - Cina 343
BR - Brasile 331
VN - Vietnam 239
HK - Hong Kong 213
IT - Italia 180
NL - Olanda 128
FR - Francia 124
DE - Germania 46
KR - Corea 46
IN - India 45
BD - Bangladesh 34
AR - Argentina 30
GB - Regno Unito 29
ID - Indonesia 27
CA - Canada 22
JP - Giappone 22
CO - Colombia 19
MX - Messico 19
EC - Ecuador 17
ZA - Sudafrica 16
ES - Italia 14
FI - Finlandia 14
VE - Venezuela 13
PL - Polonia 12
TR - Turchia 12
AT - Austria 10
IQ - Iraq 9
UA - Ucraina 9
CL - Cile 8
IE - Irlanda 8
IL - Israele 8
JM - Giamaica 8
CR - Costa Rica 7
EG - Egitto 7
SE - Svezia 7
MY - Malesia 6
NP - Nepal 6
RU - Federazione Russa 6
UZ - Uzbekistan 6
AZ - Azerbaigian 5
KE - Kenya 5
TH - Thailandia 5
AE - Emirati Arabi Uniti 4
BE - Belgio 4
KZ - Kazakistan 4
CY - Cipro 3
CZ - Repubblica Ceca 3
DZ - Algeria 3
JO - Giordania 3
LA - Repubblica Popolare Democratica del Laos 3
MA - Marocco 3
PH - Filippine 3
PY - Paraguay 3
SA - Arabia Saudita 3
AL - Albania 2
AU - Australia 2
BG - Bulgaria 2
CI - Costa d'Avorio 2
GR - Grecia 2
GT - Guatemala 2
HN - Honduras 2
LB - Libano 2
LV - Lettonia 2
MN - Mongolia 2
NI - Nicaragua 2
PK - Pakistan 2
QA - Qatar 2
RS - Serbia 2
TN - Tunisia 2
TT - Trinidad e Tobago 2
TW - Taiwan 2
BB - Barbados 1
BS - Bahamas 1
BY - Bielorussia 1
CH - Svizzera 1
CW - ???statistics.table.value.countryCode.CW??? 1
DK - Danimarca 1
DO - Repubblica Dominicana 1
EE - Estonia 1
GA - Gabon 1
IS - Islanda 1
LK - Sri Lanka 1
LT - Lituania 1
LY - Libia 1
NG - Nigeria 1
NZ - Nuova Zelanda 1
PE - Perù 1
PR - Porto Rico 1
RO - Romania 1
SC - Seychelles 1
SV - El Salvador 1
UG - Uganda 1
UY - Uruguay 1
Totale 4.811
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Città #
Singapore 515
Santa Clara 439
San Jose 298
Hong Kong 209
Ashburn 151
Hefei 102
Lauterbourg 101
Ho Chi Minh City 79
Los Angeles 65
Beijing 63
Hanoi 60
Milan 50
Seoul 43
Dallas 37
New York 35
São Paulo 29
Buffalo 21
Council Bluffs 19
Rome 15
Tokyo 14
Frankfurt am Main 13
Houston 13
Phoenix 13
Brasília 11
Da Nang 11
Düsseldorf 11
Chicago 10
Denver 10
Haiphong 10
Helsinki 10
Philadelphia 10
Rio de Janeiro 10
Atlanta 9
Nuremberg 9
Perugia 9
Bologna 8
Brooklyn 8
Warsaw 8
Washington 8
Belo Horizonte 7
Caracas 7
Columbus 7
Dublin 7
Guayaquil 7
Lecce 7
Louisville 7
Mexico City 7
Montreal 7
Orem 7
Bengaluru 6
Bogotá 6
Can Tho 6
Chennai 6
Curitiba 6
Dhaka 6
Guarulhos 6
Istanbul 6
Johannesburg 6
Minamishinagawa 6
San José 6
Tashkent 6
Baku 5
Florence 5
Kingston 5
Manchester 5
Naples 5
Paris 5
Piracicaba 5
Providence 5
Quito 5
San Francisco 5
Shanghai 5
Shenzhen 5
Stockholm 5
The Bronx 5
Turin 5
Vienna 5
Amsterdam 4
Ankara 4
Hải Dương 4
Kuala Lumpur 4
Lappeenranta 4
Milwaukee 4
Nairobi 4
Orlando 4
Quận Một 4
Raleigh 4
Ribeirão das Neves 4
Santiago 4
Scottsdale 4
Sorocaba 4
Taranto 4
Thái Bình 4
Thái Nguyên 4
Almería 3
Amman 3
Augusta 3
Baltimore 3
Birmingham 3
Biên Hòa 3
Totale 2.844
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Nome #
Alignment of the dye's molecular levels with the TiO2 band edges in dye-sensitized solar cells: a DFT-TDDFT study 95
Rationalizing Electron–Phonon Interactions and Hot Carriers Cooling in 2D to 3D Metal Halide Perovskites 92
Introduction of a mesityl substituent on pyridyl rings as a facile strategy for improving the performance of luminescent 1,3-bis-(2-pyridyl)benzene platinum(ii) complexes: a springboard for blue OLEDs 84
First member of an appealing class of cyclometalated 1,3-di-(2-pyridyl)benzene platinum(II) complexes for solution-processable OLEDs 82
Organic dyes incorporating low band-gap chromophores based on p-extended benzothiazole for dye-sensitized solar cells 81
Photochemistry of Artists' Dyes and Pigments: Towards Better Understanding and Prevention of Colour Change in Works of Art 80
A combined theoretical and experimental investigation of the electronic and vibrational properties of red lead pigment 75
Cyclometalated Ir-III Complexes with Substituted 1,10-Phenanthrolines: A New Class of Efficient Cationic Organometallic Second-Order NLO Chromophores 75
Inertness of the Aryl-F Bond toward Oxidative Addition to Osmium and Rhodium Complexes: Thermodynamic or Kinetic Origin? 73
Modelling the Interaction between Carboxylic Acids and Zinc Oxide: Insight into Degradation of ZnO Pigments 73
DFT/TDDFT investigation on the UV-vis absorption and fluorescence properties of alizarin dye 72
Multifunctional Organometallic Compounds: An Interesting Luminescent NLO‐Active Alkynylplatinum (II) Complex 72
New insights into the deterioration of TiO2 based oil paints: the effects of illumination conditions and surface interactions 69
Photophysical investigation of highly phosphorescent N^C^N platinum(II) azido complexes and their triazole derivatives 68
Kinetic effects of cationic surfactants on the photocatalytic degradation of anionic dyes in aqueous TiO2 dispersions 68
Design of cyclometallated 5-pi-delocalized donor-1,3-di(2-pyridyl)benzene platinum(II) complexes with second-order nonlinear optical properties 67
Organic dyes incorporating low-band-gap chromophores based on ?-extended benzothiadiazole for dye-sensitized solar cells 65
Modeling Luminescence in Cultural Heritage: Theoretical Insight into the Luminescence of Dyes and Pigments 65
Interface Electrostatics of Solid-State Dye-Sensitized Solar Cells: A Joint Drift-Diffusion and Density Functional Theory Study 64
Complexation of apigenin and luteolin in weld lake: a DFT/TDDFT investigation 63
Influence of surfactants in improving degradation of polluting dyes photocatalyzed by TiO2 in aqueous dispersion 63
Theoretical and experimental investigation on the spectroscopic properties of indigo dye 62
First-principles modeling of dye-sensitized solar cells: From the optical properties of standalone dyes to the charge separation at dye/TiO2 interfaces 57
The Versatile Photo-Thermal Behaviour of a 2-Hydroxyazobenzene 56
From Blue to Green: Fine-Tuning of Photoluminescence and Electrochemiluminescence in Bifunctional Organic Dyes 55
Electronic and Optical Properties of Dye-Sensitized TiO2 Interfaces 55
Novel cyclometallated 5-pi-delocalized donor-1,3-di(2-pyridyl)benzene platinum(II) complexes with good second-order nonlinear optical properties 54
Modeling Excited States and Alignment of Energy Levels in Dye-Sensitized Solar Cells: Successes, Failures, and Challenges 54
Perylenetetracarboxy-3,4:9,10-diimide derivatives with large two-photon absorption activity 53
A Chiral Bis(salicylaldiminato)zinc(II) Complex with Second-Order Nonlinear Optical and Luminescent Properties in Solution 51
Impact of Spin-Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells 49
Acid-base chemistry of luteolin and its methyl-ether derivatives: A DFT and ab initio investigation 49
Discoloration of the smalt pigment: experimental studies andab initio calculations. 48
Ab Initio Modeling of Solar Cell Dye Sensitizers: The Hunt for Red Photons Continues 48
A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications 43
Absorption and Emission of the Apigenin and Luteolin Flavonoids: A TDDFT Investigation 42
Designing Squaraines to Control Charge Injection and Recombination Processes in NiO-based Dye-Sensitized Solar Cells 41
A Joint Experimental and Theoretical Investigation on Nonlinear Optical (NLO) Properties of a New Class of Push-Pull Spirobifluorene Compounds 41
Towards efficient sustainable full-copper dye-sensitized solar cells 41
Everything you always wanted to Know about Black Dye (but Were Afraid to Ask): A DFT/TDDFT Investigation 41
The role of 5-R-1, 10-phenanthroline (R = CH3, NO2) on the emission properties and second-order NLO response of cationic Ir(III) organometallic chromophores 41
Time-dependent density functional theory modeling of spin-orbit coupling in ruthenium and osmium solar cell sensitizers 40
Novel Fullerene Platinum Alkynyl Complexes with High Second Order Nonlinear Optical Properties as a Springboard for NLO-Active Polymer Films 40
DFT/TDDFT investigation of the stepwise deprotonation in tetracycline: pKa assignment and UV-vis spectroscopy 39
Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers 39
An inconvenient influence of iridium(III) isomer on OLED efficiency. 39
Controlling phosphorescence color and quantum yields in cationic iridium complexes: A combined experimental and theoretical study 38
Structural and electronic properties of the PbCrO4 chrome yellow pigment and of its light sensitive sulfate-substituted compounds 38
Tuning the Dipolar Second-Order Nonlinear Optical Properties of Cyclometalated Platinum(II) Complexes with Tridentate N^C^N Binding Ligands 37
New members of the family of highly luminescent 1,3-bis(4-phenylpyridin-2-yl)-4,6-difluorobenzene platinum(ii) complexes: exploring the effect of substituents on the 4-phenylpyridine unit 37
An investigation on the second order nonlinear optical response of tris-cyclometallated Ir(III) complexes with variously substituted 2-phenylpyridines 35
Stabilization through p-dimethylaminobenzaldehyde of a new NLO-active phase of [E-4-(4-dimethylaminostyryl)-1-methylpyridinium] iodide: synthesis, structural characterization and theoretical investigation of its electronic properties 35
Ab initio molecular dynamics simulations of organometallic reactivity 35
Photophysical properties of [Ru(phen)2(dppz)]2+ intercalated into DNA: A theoretical study 35
Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand 35
High Open-Circuit Voltage Solid-State Dye-Sensitized Solar Cells with Organic Dye 35
Ab Initio Determination of Ground and Excited State Oxidation Potentials of Organic Chromophores for Dye-Sensitized Solar Cells 35
Role of Hot Singlet Excited States in Charge Generation at the Black Dye/TiO2 Interface 35
Introduction of a 4-Hexyl-2-thienyl Substituent on Pyridine Rings as a Route for Brightly Luminescent 1,3-Di-(2-pyridyl)benzene Platinum(II) Complexes 34
Electronic transitions involved in the absorption spectrum and the dual luminescence of the tetranuclear cubane [Cu4I4(pyridine)4] cluster: a DFT/TDDFT investigation 34
Geometrical and energetical structural changes in organic dyes for dye-sensitized solar cells probed using photoelectron spectroscopy and DFT 34
Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization 34
New [(D-terpyridine)-Ru-(D or A-terpyridine)][4-EtPhCO2]2 complexes (D = electron donor group; A = electron acceptor group) as active second-order non linear optical chromophores 33
Computational Spectroscopy Characterization of the Species Involved in Dye Oxidation and Regeneration Processes in Dye-Sensitized Solar Cells 33
A dynamic density functional study of the stepwise migratory insertion of isocyanides into zirconium-carbon bonds anchored to a calix[4]arene moiety 33
An EFISH, theoretical, and PGSE NMR investigation on the relevant role of aggregation on the second order NLO response in CHCl3 of the push-pull [5-[[4'-(dimethylamino)phenyl]ethynyl]-15-[(4"-nitrophenyl)ethynyl]-10,20-diphenylporphyrinate] M(II) (M= Zn, Ni) 33
Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials 33
Absorption spectrum and solvatochromism of the [Ru(4,4 '-COOH-2,2 '-bpy)(2)(NCS)(2)] 32
Tuning the dipolar second-order nonlinear optical properties of 5-pi-delocalized-donor-1,3-di(2-pyridyl) benzenes, related cyclometallated platinum(II) complexes and methylated salts 32
A density functional study of ethylene rearrangements assisted by tungsten calix[4]arenes 32
An integrated Computational Tool for the Study of the Optical Properties of Nanoscale Devices: Application to Solar Cells and Molecular Wires 32
Electron-rich heteroaromatic conjugated bipyridine based ruthenium sensitizer for efficient dye-sensitized solar cells 31
Simulating Dye-Sensitized TiO2 Heterointerfaces in Explicit Solvent: Absorption Spectra, Energy Levels, and Dye Desorption 31
Time-dependent and coupled-perturbed DFT and HF investigations on the absorption spectrum and non-linear optical properties of push-pull M(II)-porphyrin complexes (M = Zn, Cu, Ni) 31
A theoretical approach to a chemical system convertible into a storage cell: carbon-carbon bonds functioning as electron donor and electron acceptor units 30
Density Functional Study of Tetraphenolate and Calix[4]arene Complexes of Early Transition Metals 30
A time-dependent density functional theory investigation on the nature of the electronic transitions involved in the nonlinear optical response of [Ru(CF3CO2)3T] (T = 4'-(C6H4-p-NBu2)-2,2':6',2''-terpyridine 30
pH-Sensitive Bis(2,2':6',2"-terpyridine)ruthenium(II) Complexes - A DFT/TDDFT Investigation of Their Spectroscopic Properties 30
The Role of Substituents on Functionalized 1,10-Phenanthroline in Controlling the Emission Properties of Cationic Iridium(III) Complexes of Interest for Electroluminescent Devices 30
Influence of the sensitizer adsorption mode on the open-circiut potential in Dye-sensitized solar cells 30
Photophysical properties of [Ru(phen)2(dppz)2+ intercalated into DNA: An integrated Car-Parrinello and TDDFT study 29
Panchromatic ruthenium sensitizer based on electron-rich heteroarylvinylene ?-conjugated quaterpyridine for dye-sensitized solar cells 29
Time-dependent DFT investigations of dye-sensitized TiO2 nanoparticles 29
First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO2 Substrates for Dye-Sensitized Solar Cell Applications 29
A computational approach to the electronic and optical properties of Ru(II) and Ir(III) polypyridyl complexes: Applications to DSC, OLED and NLO 29
Highly stable 7-N,N-dibutylamino-2-azaphenanthrene and 8-N,N-dibutylamino-2-azachrysene as a new class of second order NLO-active chromophores. 29
Time-dependent and coupled-perturbed DFT and HF investigations on the absorption spectrum and non-linear optical properties of push-pull M(II)-porphyrin complexes (M= Zn, Cu, Ni) 29
Theoretical investigations of the effects of J-aggregation on the linear and nonlinear optical properties of E-4-(4-dimethylaminostyryl)-1-methylpyridinium [DAMS(+)] 29
Study of organic dyes with a benzothiadiazole-dithienosilole central core as sensitizers in photoelectrochemical cells for hydrogen generation 28
Time Dependent Density Functional Theory Study of the Absorption Spectrum of [Ru(4,4'-COOH-2,2'-bpy)2(NCS)2] in Water Solution: influence of the pH 28
Fotoisomerizzazione di un modello del cromoforo del retinale: confronto tra profili di energia CASPT2//CASSCF e TDDFT//CASSCF 28
Spectroscopic properties of cyclometallated iridium complexes by TDDFT 28
Cobalt Polypyridyl Complexes as Transparent Solution-Processable Solid-State Charge Transport Materials 28
Dynamical Density Functional Study of the Multistep CO Insertion into Zirconium-Carbon Bonds Anchored to a Calix[4]arene Moiety 28
A TDDFT Study of the Ruthenium(II) Polyazaaromatic Complex [Ru(dppz)(phen)2]2+ in solution 27
Computational Chemistry Meets Cultural Heritage: Challenges and Perspectives 27
Panchromatic Cross-Substituted Squaraines for Dye-Sensitized Solar Cell Applications 27
The Migratory Insertion of Carbon Monoxide and Methyl Isocyanide into Zirconium-Carbon and Titanium-Carbon Bonds Anchored to a Calix[4]Arene Moiety: A Dynamical Density Functional Study 27
Influence of Donor Groups of Organic D-pi-A Dyes on Open-Circuit Voltage in Solid-State Dye-Sensitized Solar Cells 27
Molecular Engineering of Organic Sensitizers for Solar Cell Applications 27
Totale 4.418
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Categoria #
all - tutte 16.013
article - articoli 15.348
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 311
Totale 31.672
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2023/202411 0 0 0 0 0 0 0 0 1 0 3 7
2024/20251.737 29 8 119 67 426 56 32 97 45 158 369 331
2025/20262.446 96 139 190 440 496 74 349 276 171 124 54 37
2026/2027719 296 170 253 0 0 0 0 0 0 0 0 0
Totale 4.913