IRIS
SICILIA, Emilia
 Distribuzione geografica
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Continente #
NA - Nord America 10.697
AS - Asia 8.163
EU - Europa 4.845
SA - Sud America 2.203
AF - Africa 568
Continente sconosciuto - Info sul continente non disponibili 248
OC - Oceania 16
AN - Antartide 1
Totale 26.741
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Nazione #
US - Stati Uniti d'America 10.154
SG - Singapore 3.226
BR - Brasile 1.553
CN - Cina 1.478
UA - Ucraina 1.429
VN - Vietnam 1.315
DE - Germania 950
IT - Italia 904
HK - Hong Kong 487
BD - Bangladesh 334
AT - Austria 315
SE - Svezia 306
FR - Francia 300
TR - Turchia 281
CA - Canada 233
SN - Senegal 232
AR - Argentina 215
KR - Corea 176
IN - India 171
FI - Finlandia 131
GB - Regno Unito 126
MX - Messico 116
IQ - Iraq 109
ID - Indonesia 107
EC - Ecuador 103
ZA - Sudafrica 95
CO - Colombia 93
RU - Federazione Russa 70
PK - Pakistan 69
VE - Venezuela 67
MA - Marocco 56
CL - Cile 55
PY - Paraguay 53
UZ - Uzbekistan 42
BE - Belgio 41
JP - Giappone 41
EG - Egitto 39
ES - Italia 39
NL - Olanda 39
SA - Arabia Saudita 37
PL - Polonia 36
CZ - Repubblica Ceca 34
TN - Tunisia 33
MY - Malesia 31
CR - Costa Rica 30
DZ - Algeria 29
PE - Perù 26
UY - Uruguay 26
KE - Kenya 25
HN - Honduras 23
NP - Nepal 23
PH - Filippine 23
SV - El Salvador 22
AE - Emirati Arabi Uniti 21
JM - Giamaica 21
JO - Giordania 20
ET - Etiopia 18
IL - Israele 17
TT - Trinidad e Tobago 17
AL - Albania 16
KZ - Kazakistan 16
DO - Repubblica Dominicana 15
PA - Panama 15
AU - Australia 14
AZ - Azerbaigian 14
LB - Libano 14
OM - Oman 14
GT - Guatemala 12
EU - Europa 11
GP - Guadalupe 11
IE - Irlanda 11
BH - Bahrain 10
NI - Nicaragua 10
TH - Thailandia 10
GR - Grecia 9
HU - Ungheria 9
KG - Kirghizistan 9
NG - Nigeria 9
PR - Porto Rico 9
BG - Bulgaria 8
BO - Bolivia 8
IR - Iran 8
LT - Lituania 8
RO - Romania 8
CH - Svizzera 7
PT - Portogallo 7
GA - Gabon 6
LA - Repubblica Popolare Democratica del Laos 6
LK - Sri Lanka 6
LV - Lettonia 6
MN - Mongolia 6
QA - Qatar 6
SK - Slovacchia (Repubblica Slovacca) 6
TW - Taiwan 6
BB - Barbados 5
CW - ???statistics.table.value.countryCode.CW??? 5
DK - Danimarca 5
KH - Cambogia 5
PS - Palestinian Territory 5
RS - Serbia 5
Totale 26.432
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Città #
Singapore 1.377
Chandler 1.165
Council Bluffs 911
Jacksonville 849
San Jose 824
Ashburn 792
Boardman 486
Ho Chi Minh City 475
Dallas 470
Dearborn 423
Beijing 361
San Mateo 359
Hanoi 284
Hong Kong 271
Vienna 269
New York 245
Dakar 232
Lauterbourg 212
Roxbury 199
Lawrence 198
Shanghai 183
Seoul 175
Izmir 165
Milan 152
Hefei 138
São Paulo 130
Munich 123
Des Moines 122
Santa Clara 118
Ottawa 112
Columbus 104
Los Angeles 96
Bremen 91
Helsinki 89
Rende 88
Chicago 87
Brooklyn 84
Florence 82
Ogden 81
Ann Arbor 78
Da Nang 71
Wilmington 71
Haiphong 61
Grafing 55
Kocaeli 55
Miano 52
Rio de Janeiro 52
Inglewood 50
Rome 50
The Dalles 48
Tianjin 45
Guangzhou 43
Seattle 43
Turku 42
San Francisco 41
Phoenix 40
Brussels 39
Johannesburg 38
Charlotte 37
Biên Hòa 35
Mexico City 35
Tashkent 35
Quito 34
Baghdad 33
Guayaquil 33
Cosenza 32
Toronto 31
Wuhan 31
Atlanta 30
Warsaw 30
Belo Horizonte 29
Brasília 29
Dhaka 29
Frankfurt am Main 28
Jakarta 27
Curitiba 26
Brno 25
Cape Town 24
Hải Dương 24
London 24
Medellín 23
Tokyo 23
Cairo 22
Pune 22
Santiago 22
Caracas 21
Casablanca 21
Chennai 21
Lahore 21
Montevideo 21
Montreal 21
Nairobi 21
San José 21
San Salvador 21
Amsterdam 20
Asunción 20
Cambridge 20
Nuremberg 20
Porto Alegre 20
Thái Bình 20
Totale 14.678
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Nome #
B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations 391
Anionic Cyclometalated Pt(II) and Pt(IV) Complexes Respectively Bearing One or Two 1,2-Benzenedithiolate Ligands 238
A Novel Catalytic Two-Step Process for Preparation of Rigid Polyurethane Foams: Synthesis, Mechanism and Computational Studies 232
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol 211
A promising marriage between theory and experiment : density functional method versus mass spectrometry 202
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug 198
Antitumor Platinium(IV) Prodrugs: A Systematic Computational Exploration of Their Reduction Mechanism by l -Ascorbic Acid 196
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations 196
Complexation of Al3+and Ni2+by l -Ascorbic Acid: An Experimental and Theoretical Investigation 186
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 185
"Density functional theory as a tool for the prediction of the properties in molecules with biological and pharmacological significance" 183
Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIVProdrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems 183
BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on1O2photosensitization 182
Curcumin-based ionic Pt(II) complexes: antioxidant and antimicrobial activity 180
Theoretical exploration of the reduction reaction of monofunctional phenanthriplatin Pt(IV) prodrugs 180
Sequestering Ability of a Synthetic Chelating Agent towards Copper(II) and Iron(III): A Detailed Theoretical and Experimental Analysis 174
Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation 174
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 173
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE 172
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 170
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 169
Anticancer Activity, DNA Binding, and Photodynamic Properties of a N^C^N-Coordinated Pt(II) Complex 168
''Geometrical structure, dipole moments, ionizational potentials and vibrational frequences of CH2 and halocarbenes 167
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 163
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study 161
Acetylene Cyclotrimerization by Early Second-Row Transition Metals in the Gas Phase. A Theoretical Study 159
Absorption Spectra of the Potential Photodynamic Therapy Photosensitisers Texaphyrins Complexes: A Theoretical Analysis 159
Theoretical determination of the aquation reaction mechanism of cyclometalated benzimidazole Ru(II) and Ir(III) anticancer complexes 159
Can BODIPY Dimers Act as Photosensitizers in Photodynamic Therapy? A Theoretical Prediction 159
Exploring the structure-performance relationship of sulfonated polysulfone proton exchange membrane by a combined computational and experimental approach 159
Heteroleptic Cu(ii) saccharin complexes: Intriguing coordination modes and properties 157
Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes 154
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 154
Copper-Catalyzed Glutathione Oxidation is Accelerated by the Anticancer Thiosemicarbazone Dp44mT and Further Boosted at Lower pH 153
A Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3 and CH4 Molecules 153
A comparative computational mechanistic study on derivatives of pyriplatin, modified with the –CH2Ph3P+ group, as anticancer complexes targeting mitochondria 153
About the Mulliken electronegativity in DFT 152
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 152
A DFT study of the NO adsorption on Pdn (n = 1–4) clusters 151
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics 151
A Time-Dependent Density Functional Study of a Non-Aromatic [1.1.1.1.1]-Pentaphyrin and Its Lutetium Complex 150
Catalytic Role of Dinuclear σ,π-Acetylide Gold(I) Complexes in the Hydroamination of Terminal Alkynes: Theoretical Insights 148
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations 146
A quasilinear RISM approach for the computation of salvation free energy of ionic species 145
Glutathione activation of an organometallic half-sandwich anticancer drug candidate by ligand attack 143
Rationalization of the Superior Anticancer Activity of Phenanthriplatin: An In-Depth Computational Exploration 143
Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: a theoretical study 142
Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights 141
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines 140
Is the cytotoxic activity of phenanthriplatin dependent on the specific size of the phenanthridine ligand π system? 140
Experimental and theoretical study of the complexation of Fe3+ and Cu2+ by l‑ascorbic acid in aqueous solution 139
COMBINED MOLECULAR MECHANICS, MOLECULAR DYNAMICS AND QUANTUM MECHANICAL STUDY OF (1)-MULTIFIDENE STRUCTURE AND CONFORMATION 138
Flavin-mediated photoactivation of Pt(IV) anticancer complexes: computational insights on the catalytic mechanism 138
Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers 137
Iodido equatorial ligands influence on the mechanism of action of Pt(IV) and Pt(II) anti-cancer complexes: A DFT computational study 137
Experimental and Computational Investigations of Carboplatin Supramolecular Complexes 136
Anticancer Activity, Reduction Mechanism and G-Quadruplex DNA Binding of a Redox-Activated Platinum(IV)–Salphen Complex 135
The Role of Chelating Phosphine Rhodium Complexes in Dehydrocoupling Reactions of Amine-Boranes: A Theoretical Investigation Attempting To Rationalize the Observed Behaviors 135
Elusive Intermediates in the Breakdown Reactivity Patterns of Prodrug Platinum(IV) Complexes 134
Synthesis, Characterization and Host-Guest Complexation of Asplatin: Improved In Vitro Cytotoxicity and Biocompatibility as Compared to Cisplatin 134
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models 132
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine 132
Computational Analysis of Photophysical Properties and Reactivity of a New Phototherapeutic Cyclometalated Au(III)-Hydride Complex 132
Computational Analysis of the Behavior of BODIPY Decorated Monofunctional Platinum(II) Complexes in the Dark and under Light Irradiation 131
Insights on cyclophosphamide metabolism and anticancer mechanism of action: A computational study 130
How Computations Can Assist the Rational Design of Drugs for Photodynamic Therapy: Photosensitizing Activity Assessment of a Ru(II)-BODIPY Assembly 130
The geometric effect in palladium–gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis? 129
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? 127
Flavin-Conjugated Pt(IV) Anticancer Agents 126
Analysis of the Fragmentation Pathways for the Collision-Induced Dissociation of Protonated Cyclophosphamide: A Mass Spectrometry and Quantum Mechanical Study 126
The influence of surface oxygen and hydroxyl group on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study 126
Dual Role of Glutathione as a Reducing Agent and Cu-Ligand Governs the ROS Production by Anticancer Cu-Thiosemicarbazone Complexes 124
Graphical interactive strategy for the analysis of NMR spectra in liquid-crystalline phases 124
Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation 124
Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis 120
b-Hydrogen kinetic effect 119
Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives 119
Activation by Glutathione in Hypoxic Environment of an Azo‐based Rhodamine Activatable Photosensitizer. A Computational Elucidation 119
Two-state reactivity paradigm in transition metal mediated reactions 118
Host-Guest Complexation of Oxaliplatin and Para-Sulfonatocalix[n]Arenes for Potential Use in Cancer Therapy 118
A detailed density functional theory exploration of the photodissociation mechanism of ruthenium complexes for photoactivated chemotherapy 117
Manganese PNN pincer complex for hydrogenation of carbamate and urea derivatives: Reaction mechanism examined by DFT calculations 116
Computational Exploration of the Synergistic Anticancer Effect of a Multi-Action Ru(II)-Pt(IV) Conjugate 116
Determination of the heat of formation of oxygen containing radicals using density functional theory 116
Heats of formation of oxygen containing radicals from local spin density computations 115
EH3 (E=N, P, As) and H2 Activation with N-Heterocyclic Silylene and Germylene Homologues 115
Mechanism of action of the curcumin cis-diammineplatinum(ii) complex as a photocytotoxic agent 115
Activation of methane by iron dimer cation. A Theoretical study 114
Combined molecular mechanics, molecular dynamics and quantum chemical study of (+)-multifidene structure and conformation 113
Constrained optimization procedure for finding transition states and reaction pathways in the framework of gaussian based density functional method: the case of isomerization reactions 113
The heavy atom effect on Zn(II) phthalocyanine derivatives: a theoretical exploration of the photophysical properties 112
Cytotoxic Pt(ii) complexes containing alizarin: a selective carrier for DNA metalation 112
DFT Computational Analysis of the Mechanism of Action of Ru(II) Polypyridyl Complexes as Photoactivated Chemotherapy Agents: From Photoinduced Ligand Solvolysis to DNA Binding 111
Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation 111
The heat of formation of the O2H radical. A Density Functional Study 111
Mechanistic aspects of the reaction of Th+ and Th2+ with water in gas-phase 111
Singlet-triplt gap in HCl halocarbene 111
Gas-phase chemistry of actinides ions: new insights into the reaction of UO+ and UO2+ with water 110
The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study 110
G-quadruplex DNA selective targeting for anticancer therapy: a computational study of a novel PtII monofunctional complex activated by adaptive binding 108
Totale 14.723
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Categoria #
all - tutte 146.393
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 146.393
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.504 0 0 0 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
2025/202610.993 1.329 518 837 1.064 2.216 823 1.226 547 655 716 456 606
2026/20272.507 673 191 519 1.124 0 0 0 0 0 0 0 0
Totale 26.741