IRIS
SICILIA, Emilia
 Distribuzione geografica
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Continente #
NA - Nord America 8.733
AS - Asia 8.030
EU - Europa 4.411
SA - Sud America 2.163
AF - Africa 564
Continente sconosciuto - Info sul continente non disponibili 16
OC - Oceania 16
AN - Antartide 1
Totale 23.934
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Nazione #
US - Stati Uniti d'America 8.337
SG - Singapore 3.216
BR - Brasile 1.537
CN - Cina 1.434
UA - Ucraina 1.426
VN - Vietnam 1.308
DE - Germania 945
IT - Italia 509
HK - Hong Kong 482
AT - Austria 315
SE - Svezia 306
FR - Francia 299
BD - Bangladesh 289
TR - Turchia 281
SN - Senegal 232
AR - Argentina 211
CA - Canada 179
KR - Corea 176
IN - India 165
FI - Finlandia 131
GB - Regno Unito 115
MX - Messico 113
IQ - Iraq 109
ID - Indonesia 101
EC - Ecuador 99
ZA - Sudafrica 95
CO - Colombia 87
PK - Pakistan 68
RU - Federazione Russa 67
VE - Venezuela 62
MA - Marocco 56
CL - Cile 54
PY - Paraguay 52
UZ - Uzbekistan 42
BE - Belgio 40
EG - Egitto 38
JP - Giappone 38
NL - Olanda 38
SA - Arabia Saudita 37
ES - Italia 35
CZ - Repubblica Ceca 34
PL - Polonia 33
TN - Tunisia 33
DZ - Algeria 29
MY - Malesia 29
KE - Kenya 25
UY - Uruguay 25
PE - Perù 24
PH - Filippine 23
NP - Nepal 22
AE - Emirati Arabi Uniti 21
JO - Giordania 20
CR - Costa Rica 19
ET - Etiopia 18
JM - Giamaica 17
AL - Albania 16
IL - Israele 16
KZ - Kazakistan 16
DO - Repubblica Dominicana 15
PA - Panama 15
AU - Australia 14
AZ - Azerbaigian 14
LB - Libano 14
OM - Oman 14
HN - Honduras 13
EU - Europa 11
BH - Bahrain 10
IE - Irlanda 10
GR - Grecia 9
HU - Ungheria 9
KG - Kirghizistan 9
NG - Nigeria 9
TH - Thailandia 9
BG - Bulgaria 8
BO - Bolivia 8
IR - Iran 8
LT - Lituania 8
PT - Portogallo 7
GA - Gabon 6
LK - Sri Lanka 6
LV - Lettonia 6
MN - Mongolia 6
QA - Qatar 6
SK - Slovacchia (Repubblica Slovacca) 6
TT - Trinidad e Tobago 6
TW - Taiwan 6
CH - Svizzera 5
DK - Danimarca 5
KH - Cambogia 5
LA - Repubblica Popolare Democratica del Laos 5
NI - Nicaragua 5
PS - Palestinian Territory 5
RS - Serbia 5
SV - El Salvador 5
XK - ???statistics.table.value.countryCode.XK??? 5
BA - Bosnia-Erzegovina 4
BY - Bielorussia 4
CI - Costa d'Avorio 4
GY - Guiana 4
KW - Kuwait 4
Totale 23.871
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Città #
Singapore 1.369
Chandler 1.165
Jacksonville 847
San Jose 644
Boardman 486
Ashburn 477
Ho Chi Minh City 474
Dallas 460
Dearborn 423
San Mateo 359
Beijing 353
Council Bluffs 312
Hanoi 283
Vienna 269
Hong Kong 266
Dakar 232
Lauterbourg 212
New York 200
Roxbury 199
Lawrence 197
Shanghai 183
Seoul 175
Izmir 165
Hefei 138
Munich 123
São Paulo 123
Des Moines 122
Ottawa 112
Columbus 103
Bremen 91
Helsinki 89
Rende 86
Brooklyn 81
Los Angeles 81
Ogden 81
Ann Arbor 78
Florence 73
Wilmington 71
Da Nang 70
Santa Clara 64
Haiphong 60
Grafing 55
Kocaeli 55
Rio de Janeiro 52
Inglewood 50
The Dalles 47
Tianjin 45
Guangzhou 43
Seattle 42
Turku 42
Brussels 39
San Francisco 39
Johannesburg 38
Biên Hòa 35
Mexico City 35
Tashkent 35
Baghdad 33
Cosenza 32
Guayaquil 32
Quito 32
Wuhan 31
Belo Horizonte 29
Brasília 29
Warsaw 29
Jakarta 27
Curitiba 26
Brno 25
Dhaka 25
Frankfurt am Main 25
Toronto 25
Cape Town 24
Hải Dương 24
Rome 23
Cairo 22
Chicago 22
Medellín 22
Phoenix 22
Pune 22
Santiago 22
Casablanca 21
Chennai 21
Lahore 21
Montevideo 21
Nairobi 21
Amsterdam 20
Asunción 20
Cambridge 20
Thái Bình 20
Tokyo 20
Caracas 19
Ninh Bình 19
Nuremberg 19
Porto Alegre 19
Salvador 19
Bogotá 18
Buenos Aires 18
London 18
Boston 17
Bắc Ninh 17
Guarulhos 17
Totale 13.056
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Nome #
B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations 352
Anionic Cyclometalated Pt(II) and Pt(IV) Complexes Respectively Bearing One or Two 1,2-Benzenedithiolate Ligands 217
A Novel Catalytic Two-Step Process for Preparation of Rigid Polyurethane Foams: Synthesis, Mechanism and Computational Studies 214
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol 199
A promising marriage between theory and experiment : density functional method versus mass spectrometry 189
Antitumor Platinium(IV) Prodrugs: A Systematic Computational Exploration of Their Reduction Mechanism by l -Ascorbic Acid 184
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug 180
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations 176
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 173
"Density functional theory as a tool for the prediction of the properties in molecules with biological and pharmacological significance" 171
BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on1O2photosensitization 171
Curcumin-based ionic Pt(II) complexes: antioxidant and antimicrobial activity 167
Complexation of Al3+and Ni2+by l -Ascorbic Acid: An Experimental and Theoretical Investigation 166
Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIVProdrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems 165
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE 163
Excitation energies, singlet–triplet energy gaps, spin–orbit matrix elements and heavy atom effects in BOIMPYs as possible photosensitizers for photodynamic therapy: a computational investigation 161
Anticancer Activity, DNA Binding, and Photodynamic Properties of a N^C^N-Coordinated Pt(II) Complex 158
Theoretical exploration of the reduction reaction of monofunctional phenanthriplatin Pt(IV) prodrugs 158
Sequestering Ability of a Synthetic Chelating Agent towards Copper(II) and Iron(III): A Detailed Theoretical and Experimental Analysis 158
Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation 154
''Geometrical structure, dipole moments, ionizational potentials and vibrational frequences of CH2 and halocarbenes 152
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 152
Acetylene Cyclotrimerization by Early Second-Row Transition Metals in the Gas Phase. A Theoretical Study 151
Can BODIPY Dimers Act as Photosensitizers in Photodynamic Therapy? A Theoretical Prediction 151
A multi-methodological inquiry of the behavior of cisplatin-based Pt(IV) derivatives in the presence of bioreductants with a focus on the isolated encounter complexes 151
Theoretical determination of the aquation reaction mechanism of cyclometalated benzimidazole Ru(II) and Ir(III) anticancer complexes 150
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study 147
Absorption Spectra of the Potential Photodynamic Therapy Photosensitisers Texaphyrins Complexes: A Theoretical Analysis 147
Heteroleptic Cu(ii) saccharin complexes: Intriguing coordination modes and properties 147
Totally green cellulose conversion into bio-oil and cellulose citrate using molten citric acid in an open system: synthesis, characterization and computational investigation of reaction mechanisms 146
Exploring the structure-performance relationship of sulfonated polysulfone proton exchange membrane by a combined computational and experimental approach 146
A comparative computational mechanistic study on derivatives of pyriplatin, modified with the –CH2Ph3P+ group, as anticancer complexes targeting mitochondria 144
About the Mulliken electronegativity in DFT 143
A Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3 and CH4 Molecules 143
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 143
Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes 141
A Time-Dependent Density Functional Study of a Non-Aromatic [1.1.1.1.1]-Pentaphyrin and Its Lutetium Complex 139
A DFT study of the NO adsorption on Pdn (n = 1–4) clusters 139
Metal Atom Effect on the Photophysical Properties of Mg(II), Zn(II), Cd(II), and Pd(II) Tetraphenylporphyrin Complexes Proposed as Possible Drugs in Photodynamic Therapy 139
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations 135
Catalytic Role of Dinuclear σ,π-Acetylide Gold(I) Complexes in the Hydroamination of Terminal Alkynes: Theoretical Insights 134
Rationalization of the Superior Anticancer Activity of Phenanthriplatin: An In-Depth Computational Exploration 134
A quasilinear RISM approach for the computation of salvation free energy of ionic species 132
Copper-Catalyzed Glutathione Oxidation is Accelerated by the Anticancer Thiosemicarbazone Dp44mT and Further Boosted at Lower pH 131
Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights 131
Experimental and theoretical study of the complexation of Fe3+ and Cu2+ by l‑ascorbic acid in aqueous solution 131
Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: a theoretical study 130
Glutathione activation of an organometallic half-sandwich anticancer drug candidate by ligand attack 130
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines 129
COMBINED MOLECULAR MECHANICS, MOLECULAR DYNAMICS AND QUANTUM MECHANICAL STUDY OF (1)-MULTIFIDENE STRUCTURE AND CONFORMATION 126
Flavin-mediated photoactivation of Pt(IV) anticancer complexes: computational insights on the catalytic mechanism 126
Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers 125
Is the cytotoxic activity of phenanthriplatin dependent on the specific size of the phenanthridine ligand π system? 125
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine 124
Experimental and Computational Investigations of Carboplatin Supramolecular Complexes 124
Iodido equatorial ligands influence on the mechanism of action of Pt(IV) and Pt(II) anti-cancer complexes: A DFT computational study 123
Anticancer Activity, Reduction Mechanism and G-Quadruplex DNA Binding of a Redox-Activated Platinum(IV)–Salphen Complex 121
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics 121
Elusive Intermediates in the Breakdown Reactivity Patterns of Prodrug Platinum(IV) Complexes 121
Synthesis, Characterization and Host-Guest Complexation of Asplatin: Improved In Vitro Cytotoxicity and Biocompatibility as Compared to Cisplatin 121
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models 120
Computational Analysis of Photophysical Properties and Reactivity of a New Phototherapeutic Cyclometalated Au(III)-Hydride Complex 120
The Role of Chelating Phosphine Rhodium Complexes in Dehydrocoupling Reactions of Amine-Boranes: A Theoretical Investigation Attempting To Rationalize the Observed Behaviors 118
The geometric effect in palladium–gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis? 117
The influence of surface oxygen and hydroxyl group on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study 117
Analysis of the Fragmentation Pathways for the Collision-Induced Dissociation of Protonated Cyclophosphamide: A Mass Spectrometry and Quantum Mechanical Study 115
Computational Analysis of the Behavior of BODIPY Decorated Monofunctional Platinum(II) Complexes in the Dark and under Light Irradiation 115
Flavin-Conjugated Pt(IV) Anticancer Agents 112
Graphical interactive strategy for the analysis of NMR spectra in liquid-crystalline phases 112
Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis 112
Activation by Glutathione in Hypoxic Environment of an Azo‐based Rhodamine Activatable Photosensitizer. A Computational Elucidation 112
Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation 111
Host-Guest Complexation of Oxaliplatin and Para-Sulfonatocalix[n]Arenes for Potential Use in Cancer Therapy 111
How Computations Can Assist the Rational Design of Drugs for Photodynamic Therapy: Photosensitizing Activity Assessment of a Ru(II)-BODIPY Assembly 110
Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives 109
Mechanism of action of the curcumin cis-diammineplatinum(ii) complex as a photocytotoxic agent 108
Porphyrins and Metalloporphyrins Combined with N-heterocyclic Carbene (NHC) Gold(I) Complexes for Photodynamic Therapy Application. What Is the Weight of the Heavy Atom Effect? 106
Insights on cyclophosphamide metabolism and anticancer mechanism of action: A computational study 106
A detailed density functional theory exploration of the photodissociation mechanism of ruthenium complexes for photoactivated chemotherapy 106
Constrained optimization procedure for finding transition states and reaction pathways in the framework of gaussian based density functional method: the case of isomerization reactions 106
Heats of formation of oxygen containing radicals from local spin density computations 106
Dual Role of Glutathione as a Reducing Agent and Cu-Ligand Governs the ROS Production by Anticancer Cu-Thiosemicarbazone Complexes 105
Combined molecular mechanics, molecular dynamics and quantum chemical study of (+)-multifidene structure and conformation 105
b-Hydrogen kinetic effect 105
Determination of the heat of formation of oxygen containing radicals using density functional theory 104
Activation of methane by iron dimer cation. A Theoretical study 104
Manganese PNN pincer complex for hydrogenation of carbamate and urea derivatives: Reaction mechanism examined by DFT calculations 102
Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation 102
Mechanistic aspects of the reaction of Th+ and Th2+ with water in gas-phase 102
Gas-phase chemistry of actinides ions: new insights into the reaction of UO+ and UO2+ with water 102
Singlet-triplt gap in HCl halocarbene 102
The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study 102
Cytotoxic Pt(ii) complexes containing alizarin: a selective carrier for DNA metalation 102
EH3 (E=N, P, As) and H2 Activation with N-Heterocyclic Silylene and Germylene Homologues 101
The heat of formation of the O2H radical. A Density Functional Study 100
The heavy atom effect on Zn(II) phthalocyanine derivatives: a theoretical exploration of the photophysical properties 99
Continuum dielectric models for the solvent and density functional theory: the state-of-the-art 99
Computational Exploration of the Synergistic Anticancer Effect of a Multi-Action Ru(II)-Pt(IV) Conjugate 98
Density functional computations and mass spectrometric measurements. Can this coupling enlarge the knowledge of gas-phase chemistry? 98
Conformation and structure of ethane-1,2-dithiol from ab-initio HF and MP3 study 98
Totale 13.400
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Categoria #
all - tutte 134.809
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 134.809
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021159 0 0 0 0 0 0 0 0 0 0 0 159
2021/20221.911 42 359 6 85 174 89 12 426 20 16 254 428
2022/20232.952 277 297 96 336 444 290 7 553 299 73 180 100
2023/20241.364 191 71 80 47 60 198 62 96 147 40 48 324
2024/20253.283 223 497 86 141 219 157 131 179 529 218 303 600
2025/202610.918 1.329 518 837 1.064 2.216 823 1.226 547 655 716 456 531
Totale 24.159