IRIS
SICILIA, Emilia
 Distribuzione geografica
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Continente #
NA - Nord America 9.368
AS - Asia 8.144
EU - Europa 4.515
SA - Sud America 2.197
AF - Africa 564
Continente sconosciuto - Info sul continente non disponibili 241
OC - Oceania 16
AN - Antartide 1
Totale 25.046
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Nazione #
US - Stati Uniti d'America 8.944
SG - Singapore 3.221
BR - Brasile 1.550
CN - Cina 1.473
UA - Ucraina 1.427
VN - Vietnam 1.315
DE - Germania 947
IT - Italia 595
HK - Hong Kong 485
BD - Bangladesh 334
AT - Austria 315
SE - Svezia 306
FR - Francia 300
TR - Turchia 281
SN - Senegal 232
AR - Argentina 215
CA - Canada 190
KR - Corea 176
IN - India 170
FI - Finlandia 131
GB - Regno Unito 119
MX - Messico 116
IQ - Iraq 109
ID - Indonesia 107
EC - Ecuador 102
ZA - Sudafrica 95
CO - Colombia 92
PK - Pakistan 68
RU - Federazione Russa 67
VE - Venezuela 66
MA - Marocco 56
CL - Cile 55
PY - Paraguay 53
UZ - Uzbekistan 42
BE - Belgio 41
NL - Olanda 39
EG - Egitto 38
ES - Italia 38
JP - Giappone 38
SA - Arabia Saudita 37
PL - Polonia 35
CZ - Repubblica Ceca 34
TN - Tunisia 33
MY - Malesia 31
DZ - Algeria 29
PE - Perù 26
UY - Uruguay 26
KE - Kenya 25
PH - Filippine 23
NP - Nepal 22
AE - Emirati Arabi Uniti 21
CR - Costa Rica 21
JM - Giamaica 20
JO - Giordania 20
ET - Etiopia 18
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
TH - Thailandia 10
GR - Grecia 9
HU - Ungheria 9
KG - Kirghizistan 9
NG - Nigeria 9
BG - Bulgaria 8
BO - Bolivia 8
IR - Iran 8
LT - Lituania 8
CH - Svizzera 7
PT - Portogallo 7
SV - El Salvador 7
TT - Trinidad e Tobago 7
GA - Gabon 6
LA - Repubblica Popolare Democratica del Laos 6
LK - Sri Lanka 6
LV - Lettonia 6
MN - Mongolia 6
NI - Nicaragua 6
QA - Qatar 6
SK - Slovacchia (Repubblica Slovacca) 6
TW - Taiwan 6
BB - Barbados 5
DK - Danimarca 5
KH - Cambogia 5
PS - Palestinian Territory 5
RO - Romania 5
RS - Serbia 5
XK - ???statistics.table.value.countryCode.XK??? 5
BA - Bosnia-Erzegovina 4
BY - Bielorussia 4
CI - Costa d'Avorio 4
Totale 24.754
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Città #
Singapore 1.373
Chandler 1.165
Jacksonville 849
San Jose 647
Council Bluffs 632
Ashburn 529
Boardman 486
Ho Chi Minh City 475
Dallas 465
Dearborn 423
Beijing 360
San Mateo 359
Hanoi 284
Hong Kong 269
Vienna 269
Dakar 232
Lauterbourg 212
New York 210
Roxbury 199
Lawrence 198
Shanghai 183
Seoul 175
Izmir 165
Hefei 138
São Paulo 130
Munich 123
Des Moines 122
Ottawa 112
Columbus 104
Santa Clara 104
Bremen 91
Helsinki 89
Rende 88
Los Angeles 86
Brooklyn 83
Ogden 81
Ann Arbor 78
Florence 76
Da Nang 71
Wilmington 71
Haiphong 61
Grafing 55
Kocaeli 55
Rio de Janeiro 52
Inglewood 50
Milan 49
The Dalles 48
Tianjin 45
Guangzhou 43
Seattle 42
Turku 42
San Francisco 41
Rome 40
Brussels 39
Johannesburg 38
Biên Hòa 35
Mexico City 35
Tashkent 35
Quito 34
Baghdad 33
Cosenza 32
Guayaquil 32
Wuhan 31
Belo Horizonte 29
Brasília 29
Dhaka 29
Warsaw 29
Frankfurt am Main 27
Jakarta 27
Phoenix 27
Toronto 27
Chicago 26
Curitiba 26
Brno 25
Cape Town 24
Hải Dương 24
Medellín 23
Cairo 22
London 22
Pune 22
Santiago 22
Casablanca 21
Chennai 21
Lahore 21
Montevideo 21
Nairobi 21
Amsterdam 20
Asunción 20
Cambridge 20
Caracas 20
Thái Bình 20
Tokyo 20
Bogotá 19
Ninh Bình 19
Nuremberg 19
Omaha 19
Porto Alegre 19
Salvador 19
Buenos Aires 18
Mumbai 18
Totale 13.608
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Nome #
B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations 365
Anionic Cyclometalated Pt(II) and Pt(IV) Complexes Respectively Bearing One or Two 1,2-Benzenedithiolate Ligands 224
A Novel Catalytic Two-Step Process for Preparation of Rigid Polyurethane Foams: Synthesis, Mechanism and Computational Studies 220
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol 202
A promising marriage between theory and experiment : density functional method versus mass spectrometry 191
Antitumor Platinium(IV) Prodrugs: A Systematic Computational Exploration of Their Reduction Mechanism by l -Ascorbic Acid 187
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug 187
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations 182
Complexation of Al3+and Ni2+by l -Ascorbic Acid: An Experimental and Theoretical Investigation 176
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 176
BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on1O2photosensitization 175
Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIVProdrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems 173
"Density functional theory as a tool for the prediction of the properties in molecules with biological and pharmacological significance" 172
Theoretical exploration of the reduction reaction of monofunctional phenanthriplatin Pt(IV) prodrugs 171
Curcumin-based ionic Pt(II) complexes: antioxidant and antimicrobial activity 168
Sequestering Ability of a Synthetic Chelating Agent towards Copper(II) and Iron(III): A Detailed Theoretical and Experimental Analysis 167
Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation 166
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 165
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE 164
Anticancer Activity, DNA Binding, and Photodynamic Properties of a N^C^N-Coordinated Pt(II) Complex 162
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 162
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 162
''Geometrical structure, dipole moments, ionizational potentials and vibrational frequences of CH2 and halocarbenes 157
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 155
Acetylene Cyclotrimerization by Early Second-Row Transition Metals in the Gas Phase. A Theoretical Study 154
Exploring the structure-performance relationship of sulfonated polysulfone proton exchange membrane by a combined computational and experimental approach 153
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study 152
Can BODIPY Dimers Act as Photosensitizers in Photodynamic Therapy? A Theoretical Prediction 152
Theoretical determination of the aquation reaction mechanism of cyclometalated benzimidazole Ru(II) and Ir(III) anticancer complexes 151
Absorption Spectra of the Potential Photodynamic Therapy Photosensitisers Texaphyrins Complexes: A Theoretical Analysis 150
Heteroleptic Cu(ii) saccharin complexes: Intriguing coordination modes and properties 150
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 148
Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes 147
A Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3 and CH4 Molecules 146
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 145
A comparative computational mechanistic study on derivatives of pyriplatin, modified with the –CH2Ph3P+ group, as anticancer complexes targeting mitochondria 145
About the Mulliken electronegativity in DFT 144
A DFT study of the NO adsorption on Pdn (n = 1–4) clusters 143
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics 143
A Time-Dependent Density Functional Study of a Non-Aromatic [1.1.1.1.1]-Pentaphyrin and Its Lutetium Complex 142
Catalytic Role of Dinuclear σ,π-Acetylide Gold(I) Complexes in the Hydroamination of Terminal Alkynes: Theoretical Insights 141
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations 139
Rationalization of the Superior Anticancer Activity of Phenanthriplatin: An In-Depth Computational Exploration 137
Copper-Catalyzed Glutathione Oxidation is Accelerated by the Anticancer Thiosemicarbazone Dp44mT and Further Boosted at Lower pH 136
A quasilinear RISM approach for the computation of salvation free energy of ionic species 136
Glutathione activation of an organometallic half-sandwich anticancer drug candidate by ligand attack 136
Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: a theoretical study 134
Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights 134
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines 133
Is the cytotoxic activity of phenanthriplatin dependent on the specific size of the phenanthridine ligand π system? 132
Experimental and theoretical study of the complexation of Fe3+ and Cu2+ by l‑ascorbic acid in aqueous solution 132
COMBINED MOLECULAR MECHANICS, MOLECULAR DYNAMICS AND QUANTUM MECHANICAL STUDY OF (1)-MULTIFIDENE STRUCTURE AND CONFORMATION 131
Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers 130
Iodido equatorial ligands influence on the mechanism of action of Pt(IV) and Pt(II) anti-cancer complexes: A DFT computational study 130
Flavin-mediated photoactivation of Pt(IV) anticancer complexes: computational insights on the catalytic mechanism 129
Experimental and Computational Investigations of Carboplatin Supramolecular Complexes 128
Synthesis, Characterization and Host-Guest Complexation of Asplatin: Improved In Vitro Cytotoxicity and Biocompatibility as Compared to Cisplatin 127
Elusive Intermediates in the Breakdown Reactivity Patterns of Prodrug Platinum(IV) Complexes 126
Anticancer Activity, Reduction Mechanism and G-Quadruplex DNA Binding of a Redox-Activated Platinum(IV)–Salphen Complex 125
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine 125
The Role of Chelating Phosphine Rhodium Complexes in Dehydrocoupling Reactions of Amine-Boranes: A Theoretical Investigation Attempting To Rationalize the Observed Behaviors 124
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models 124
Computational Analysis of Photophysical Properties and Reactivity of a New Phototherapeutic Cyclometalated Au(III)-Hydride Complex 124
Computational Analysis of the Behavior of BODIPY Decorated Monofunctional Platinum(II) Complexes in the Dark and under Light Irradiation 124
Insights on cyclophosphamide metabolism and anticancer mechanism of action: A computational study 121
The geometric effect in palladium–gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis? 121
Analysis of the Fragmentation Pathways for the Collision-Induced Dissociation of Protonated Cyclophosphamide: A Mass Spectrometry and Quantum Mechanical Study 119
The influence of surface oxygen and hydroxyl group on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study 119
How Computations Can Assist the Rational Design of Drugs for Photodynamic Therapy: Photosensitizing Activity Assessment of a Ru(II)-BODIPY Assembly 118
Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation 118
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? 117
Graphical interactive strategy for the analysis of NMR spectra in liquid-crystalline phases 117
Flavin-Conjugated Pt(IV) Anticancer Agents 115
Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis 113
Host-Guest Complexation of Oxaliplatin and Para-Sulfonatocalix[n]Arenes for Potential Use in Cancer Therapy 113
Activation by Glutathione in Hypoxic Environment of an Azo‐based Rhodamine Activatable Photosensitizer. A Computational Elucidation 113
Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives 112
Determination of the heat of formation of oxygen containing radicals using density functional theory 109
Mechanism of action of the curcumin cis-diammineplatinum(ii) complex as a photocytotoxic agent 109
Computational Exploration of the Synergistic Anticancer Effect of a Multi-Action Ru(II)-Pt(IV) Conjugate 108
b-Hydrogen kinetic effect 108
Constrained optimization procedure for finding transition states and reaction pathways in the framework of gaussian based density functional method: the case of isomerization reactions 108
Dual Role of Glutathione as a Reducing Agent and Cu-Ligand Governs the ROS Production by Anticancer Cu-Thiosemicarbazone Complexes 107
A detailed density functional theory exploration of the photodissociation mechanism of ruthenium complexes for photoactivated chemotherapy 107
Combined molecular mechanics, molecular dynamics and quantum chemical study of (+)-multifidene structure and conformation 107
Heats of formation of oxygen containing radicals from local spin density computations 107
Activation of methane by iron dimer cation. A Theoretical study 107
Manganese PNN pincer complex for hydrogenation of carbamate and urea derivatives: Reaction mechanism examined by DFT calculations 106
Mechanistic aspects of the reaction of Th+ and Th2+ with water in gas-phase 105
Gas-phase chemistry of actinides ions: new insights into the reaction of UO+ and UO2+ with water 105
Cytotoxic Pt(ii) complexes containing alizarin: a selective carrier for DNA metalation 105
Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation 104
The heat of formation of the O2H radical. A Density Functional Study 104
Singlet-triplt gap in HCl halocarbene 104
EH3 (E=N, P, As) and H2 Activation with N-Heterocyclic Silylene and Germylene Homologues 103
The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study 103
DFT Computational Analysis of the Mechanism of Action of Ru(II) Polypyridyl Complexes as Photoactivated Chemotherapy Agents: From Photoinduced Ligand Solvolysis to DNA Binding 102
Newly developed basis sets for density functional calculations 102
The heavy atom effect on Zn(II) phthalocyanine derivatives: a theoretical exploration of the photophysical properties 102
Density functional computations and mass spectrometric measurements. Can this coupling enlarge the knowledge of gas-phase chemistry? 101
Totale 13.870
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Categoria #
all - tutte 139.637
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 139.637
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.869 0 359 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
2025/202610.993 1.329 518 837 1.064 2.216 823 1.226 547 655 716 456 606
2026/2027812 673 139 0 0 0 0 0 0 0 0 0 0
Totale 25.046