CNR Institutional Research Information System

FANTACCI, SIMONA
 Distribuzione geografica
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Continente #
AS - Asia 1.913
NA - Nord America 1.182
EU - Europa 524
SA - Sud America 393
AF - Africa 39
OC - Oceania 3
Continente sconosciuto - Info sul continente non disponibili 1
Totale 4.055
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Nazione #
US - Stati Uniti d'America 1.143
SG - Singapore 903
CN - Cina 340
BR - Brasile 321
VN - Vietnam 233
HK - Hong Kong 213
NL - Olanda 127
FR - Francia 122
IT - Italia 114
IN - India 45
KR - Corea 45
DE - Germania 44
AR - Argentina 30
GB - Regno Unito 24
JP - Giappone 22
ID - Indonesia 21
MX - Messico 17
EC - Ecuador 15
ZA - Sudafrica 15
FI - Finlandia 14
BD - Bangladesh 12
TR - Turchia 12
CA - Canada 11
AT - Austria 10
ES - Italia 10
CO - Colombia 9
IQ - Iraq 9
PL - Polonia 9
CL - Cile 8
IE - Irlanda 8
IL - Israele 8
UA - Ucraina 8
SE - Svezia 7
EG - Egitto 6
RU - Federazione Russa 6
UZ - Uzbekistan 6
AZ - Azerbaigian 5
KE - Kenya 5
NP - Nepal 5
VE - Venezuela 5
AE - Emirati Arabi Uniti 4
BE - Belgio 4
CR - Costa Rica 3
CY - Cipro 3
DZ - Algeria 3
JO - Giordania 3
KZ - Kazakistan 3
MA - Marocco 3
MY - Malesia 3
PY - Paraguay 3
SA - Arabia Saudita 3
AL - Albania 2
AU - Australia 2
CI - Costa d'Avorio 2
CZ - Repubblica Ceca 2
JM - Giamaica 2
LA - Repubblica Popolare Democratica del Laos 2
LV - Lettonia 2
MN - Mongolia 2
PH - Filippine 2
PK - Pakistan 2
RS - Serbia 2
TH - Thailandia 2
TN - Tunisia 2
TT - Trinidad e Tobago 2
TW - Taiwan 2
BB - Barbados 1
BG - Bulgaria 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
GR - Grecia 1
IS - Islanda 1
LB - Libano 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
QA - Qatar 1
RO - Romania 1
UY - Uruguay 1
Totale 4.055
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Città #
Singapore 512
Santa Clara 425
San Jose 267
Hong Kong 209
Hefei 102
Lauterbourg 101
Ashburn 77
Ho Chi Minh City 76
Beijing 63
Hanoi 60
Los Angeles 55
Seoul 43
Milan 33
São Paulo 28
New York 25
Buffalo 19
Dallas 16
Tokyo 14
Frankfurt am Main 13
Da Nang 11
Düsseldorf 11
Helsinki 10
Rio de Janeiro 10
Haiphong 9
Nuremberg 9
Perugia 9
Brasília 8
Council Bluffs 8
Houston 8
Belo Horizonte 7
Denver 7
Dublin 7
Guayaquil 7
Lecce 7
Mexico City 7
Orem 7
Phoenix 7
Rome 7
Bengaluru 6
Bologna 6
Can Tho 6
Chennai 6
Guarulhos 6
Istanbul 6
Minamishinagawa 6
Tashkent 6
Atlanta 5
Baku 5
Caracas 5
Curitiba 5
Johannesburg 5
Montreal 5
Paris 5
Quito 5
Shanghai 5
Shenzhen 5
Stockholm 5
Vienna 5
Warsaw 5
Amsterdam 4
Ankara 4
Brooklyn 4
Chicago 4
Dhaka 4
Hải Dương 4
Lappeenranta 4
Manchester 4
Nairobi 4
Piracicaba 4
Quận Một 4
Ribeirão das Neves 4
Santiago 4
Sorocaba 4
Taranto 4
Thái Bình 4
Thái Nguyên 4
Amman 3
Biên Hòa 3
Brussels 3
Bến Tre 3
Diamantina 3
Erbil 3
Falkenstein 3
Florence 3
Formosa 3
Ha Long 3
Jakarta 3
Juiz de Fora 3
London 3
Louisville 3
Manaus 3
Maringá 3
Pelotas 3
Petrolina 3
Philadelphia 3
Querétaro 3
San Antonio 3
San José 3
Santo André 3
São Gonçalo 3
Totale 2.547
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Nome #
Rationalizing Electron–Phonon Interactions and Hot Carriers Cooling in 2D to 3D Metal Halide Perovskites 87
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 79
Photochemistry of Artists' Dyes and Pigments: Towards Better Understanding and Prevention of Colour Change in Works of Art 74
First member of an appealing class of cyclometalated 1,3-di-(2-pyridyl)benzene platinum(II) complexes for solution-processable OLEDs 72
Inertness of the Aryl-F Bond toward Oxidative Addition to Osmium and Rhodium Complexes: Thermodynamic or Kinetic Origin? 69
Multifunctional Organometallic Compounds: An Interesting Luminescent NLO‐Active Alkynylplatinum (II) Complex 69
Modelling the Interaction between Carboxylic Acids and Zinc Oxide: Insight into Degradation of ZnO Pigments 67
DFT/TDDFT investigation on the UV-vis absorption and fluorescence properties of alizarin dye 65
Photophysical investigation of highly phosphorescent N^C^N platinum(II) azido complexes and their triazole derivatives 64
Kinetic effects of cationic surfactants on the photocatalytic degradation of anionic dyes in aqueous TiO2 dispersions 63
A combined theoretical and experimental investigation of the electronic and vibrational properties of red lead pigment 62
Design of cyclometallated 5-pi-delocalized donor-1,3-di(2-pyridyl)benzene platinum(II) complexes with second-order nonlinear optical properties 61
New insights into the deterioration of TiO2 based oil paints: the effects of illumination conditions and surface interactions 61
Modeling Luminescence in Cultural Heritage: Theoretical Insight into the Luminescence of Dyes and Pigments 60
Interface Electrostatics of Solid-State Dye-Sensitized Solar Cells: A Joint Drift-Diffusion and Density Functional Theory Study 58
Organic dyes incorporating low-band-gap chromophores based on ?-extended benzothiadiazole for dye-sensitized solar cells 55
First-principles modeling of dye-sensitized solar cells: From the optical properties of standalone dyes to the charge separation at dye/TiO2 interfaces 55
Cyclometalated Ir-III Complexes with Substituted 1,10-Phenanthrolines: A New Class of Efficient Cationic Organometallic Second-Order NLO Chromophores 52
Influence of surfactants in improving degradation of polluting dyes photocatalyzed by TiO2 in aqueous dispersion 52
Organic dyes incorporating low band-gap chromophores based on p-extended benzothiazole for dye-sensitized solar cells 50
Complexation of apigenin and luteolin in weld lake: a DFT/TDDFT investigation 50
Theoretical and experimental investigation on the spectroscopic properties of indigo dye 50
The Versatile Photo-Thermal Behaviour of a 2-Hydroxyazobenzene 49
Electronic and Optical Properties of Dye-Sensitized TiO2 Interfaces 49
From Blue to Green: Fine-Tuning of Photoluminescence and Electrochemiluminescence in Bifunctional Organic Dyes 48
Modeling Excited States and Alignment of Energy Levels in Dye-Sensitized Solar Cells: Successes, Failures, and Challenges 47
A Chiral Bis(salicylaldiminato)zinc(II) Complex with Second-Order Nonlinear Optical and Luminescent Properties in Solution 46
Novel cyclometallated 5-pi-delocalized donor-1,3-di(2-pyridyl)benzene platinum(II) complexes with good second-order nonlinear optical properties 44
Impact of Spin-Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells 43
Acid-base chemistry of luteolin and its methyl-ether derivatives: A DFT and ab initio investigation 43
Perylenetetracarboxy-3,4:9,10-diimide derivatives with large two-photon absorption activity 41
Designing Squaraines to Control Charge Injection and Recombination Processes in NiO-based Dye-Sensitized Solar Cells 39
Discoloration of the smalt pigment: experimental studies andab initio calculations. 39
Absorption and Emission of the Apigenin and Luteolin Flavonoids: A TDDFT Investigation 39
A Joint Experimental and Theoretical Investigation on Nonlinear Optical (NLO) Properties of a New Class of Push-Pull Spirobifluorene Compounds 38
Ab Initio Modeling of Solar Cell Dye Sensitizers: The Hunt for Red Photons Continues 38
Novel Fullerene Platinum Alkynyl Complexes with High Second Order Nonlinear Optical Properties as a Springboard for NLO-Active Polymer Films 37
Towards efficient sustainable full-copper dye-sensitized solar cells 36
Everything you always wanted to Know about Black Dye (but Were Afraid to Ask): A DFT/TDDFT Investigation 35
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 35
Time-dependent density functional theory modeling of spin-orbit coupling in ruthenium and osmium solar cell sensitizers 34
DFT/TDDFT investigation of the stepwise deprotonation in tetracycline: pKa assignment and UV-vis spectroscopy 33
A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications 33
Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers 33
Structural and electronic properties of the PbCrO4 chrome yellow pigment and of its light sensitive sulfate-substituted compounds 33
Photophysical properties of [Ru(phen)2(dppz)]2+ intercalated into DNA: A theoretical study 32
An inconvenient influence of iridium(III) isomer on OLED efficiency. 32
Absorption spectrum and solvatochromism of the [Ru(4,4 '-COOH-2,2 '-bpy)(2)(NCS)(2)] 31
Geometrical and energetical structural changes in organic dyes for dye-sensitized solar cells probed using photoelectron spectroscopy and DFT 31
A dynamic density functional study of the stepwise migratory insertion of isocyanides into zirconium-carbon bonds anchored to a calix[4]arene moiety 31
Tuning the Dipolar Second-Order Nonlinear Optical Properties of Cyclometalated Platinum(II) Complexes with Tridentate N^C^N Binding Ligands 31
High Open-Circuit Voltage Solid-State Dye-Sensitized Solar Cells with Organic Dye 31
An investigation on the second order nonlinear optical response of tris-cyclometallated Ir(III) complexes with variously substituted 2-phenylpyridines 30
Controlling phosphorescence color and quantum yields in cationic iridium complexes: A combined experimental and theoretical study 30
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 29
Ab initio molecular dynamics simulations of organometallic reactivity 29
Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials 29
Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization 29
Ab Initio Determination of Ground and Excited State Oxidation Potentials of Organic Chromophores for Dye-Sensitized Solar Cells 29
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 28
Photophysical properties of [Ru(phen)2(dppz)2+ intercalated into DNA: An integrated Car-Parrinello and TDDFT study 28
Panchromatic ruthenium sensitizer based on electron-rich heteroarylvinylene ?-conjugated quaterpyridine for dye-sensitized solar cells 28
pH-Sensitive Bis(2,2':6',2"-terpyridine)ruthenium(II) Complexes - A DFT/TDDFT Investigation of Their Spectroscopic Properties 28
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 28
Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand 28
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) 28
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 28
Computational Spectroscopy Characterization of the Species Involved in Dye Oxidation and Regeneration Processes in Dye-Sensitized Solar Cells 27
Time-dependent DFT investigations of dye-sensitized TiO2 nanoparticles 27
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 27
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) 27
Influence of the sensitizer adsorption mode on the open-circiut potential in Dye-sensitized solar cells 27
Role of Hot Singlet Excited States in Charge Generation at the Black Dye/TiO2 Interface 27
A theoretical approach to a chemical system convertible into a storage cell: carbon-carbon bonds functioning as electron donor and electron acceptor units 26
Intramolecular coupling of eta2-Iminoacyls on Zr-di-aryloxides and -calix[4]arenes: A revised mechanism by DFT calculations and Car-Parrinello molecular dynamics simulations 26
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. 26
A density functional study of ethylene rearrangements assisted by tungsten calix[4]arenes 26
The Role of Substituents on Functionalized 1,10-Phenanthroline in Controlling the Emission Properties of Cationic Iridium(III) Complexes of Interest for Electroluminescent Devices 26
Simulating Dye-Sensitized TiO2 Heterointerfaces in Explicit Solvent: Absorption Spectra, Energy Levels, and Dye Desorption 26
Dynamical Density Functional Study of the Multistep CO Insertion into Zirconium-Carbon Bonds Anchored to a Calix[4]arene Moiety 26
Density Functional Study of Tetraphenolate and Calix[4]arene Complexes of Early Transition Metals 25
Electron-rich heteroaromatic conjugated bipyridine based ruthenium sensitizer for efficient dye-sensitized solar cells 25
Electronic transitions involved in the absorption spectrum and the dual luminescence of the tetranuclear cubane [Cu4I4(pyridine)4] cluster: a DFT/TDDFT investigation 25
Influence of Donor Groups of Organic D-pi-A Dyes on Open-Circuit Voltage in Solid-State Dye-Sensitized Solar Cells 25
An integrated Computational Tool for the Study of the Optical Properties of Nanoscale Devices: Application to Solar Cells and Molecular Wires 25
Cobalt Polypyridyl Complexes as Transparent Solution-Processable Solid-State Charge Transport Materials 25
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) 25
Theoretical investigations of the effects of J-aggregation on the linear and nonlinear optical properties of E-4-(4-dimethylaminostyryl)-1-methylpyridinium [DAMS(+)] 25
A TDDFT Study of the Ruthenium(II) Polyazaaromatic Complex [Ru(dppz)(phen)2]2+ in solution 24
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 24
First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO2 Substrates for Dye-Sensitized Solar Cell Applications 24
Spectroscopic properties of cyclometallated iridium complexes by TDDFT 24
Why does {p-But-calix[4]-(OMe)2(O)2ZrCl2} distort away from C2v symmetry? 24
Time-Dependent Density Functional Theory Investigations on the Excited States of Ru(II)-Dye-Sensitized TiO2 Nanoparticles: The Role of Sensitizer Protonation 23
Computational Chemistry Meets Cultural Heritage: Challenges and Perspectives 23
Panchromatic Cross-Substituted Squaraines for Dye-Sensitized Solar Cell Applications 23
Protic ionic liquids as p-dopant for organic hole transporting materials and their application in high efficiency hybrid solar cells 23
A high molar extinction coefficient charge transfer sensitizer and its application in dye-sensitized solar cell 23
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 22
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 22
Totale 3.758
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Categoria #
all - tutte 12.567
article - articoli 12.028
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 251
Totale 24.846
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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
2025/20262.405 96 139 190 440 496 74 349 276 171 124 50 0
Totale 4.153