IRIS
SICILIA, Emilia
 Distribuzione geografica
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Continente #
NA - Nord America 7.162
AS - Asia 6.354
EU - Europa 3.877
SA - Sud America 1.701
AF - Africa 405
Continente sconosciuto - Info sul continente non disponibili 15
OC - Oceania 12
AN - Antartide 1
Totale 19.527
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Nazione #
US - Stati Uniti d'America 6.866
SG - Singapore 2.953
UA - Ucraina 1.412
BR - Brasile 1.283
CN - Cina 1.211
DE - Germania 930
VN - Vietnam 774
HK - Hong Kong 441
IT - Italia 357
AT - Austria 315
SE - Svezia 302
TR - Turchia 250
SN - Senegal 227
KR - Corea 175
CA - Canada 163
AR - Argentina 160
FI - Finlandia 128
GB - Regno Unito 95
BD - Bangladesh 82
IN - India 79
MX - Messico 78
ID - Indonesia 70
IQ - Iraq 70
EC - Ecuador 67
FR - Francia 65
RU - Federazione Russa 53
ZA - Sudafrica 49
CO - Colombia 47
PY - Paraguay 39
BE - Belgio 38
PK - Pakistan 38
VE - Venezuela 36
CZ - Repubblica Ceca 34
MA - Marocco 32
NL - Olanda 30
EG - Egitto 28
JP - Giappone 28
UZ - Uzbekistan 28
CL - Cile 27
PL - Polonia 24
ES - Italia 23
PE - Perù 18
KE - Kenya 16
UY - Uruguay 15
AE - Emirati Arabi Uniti 14
PA - Panama 13
DZ - Algeria 12
AL - Albania 11
AU - Australia 11
EU - Europa 11
IL - Israele 11
KZ - Kazakistan 11
DO - Repubblica Dominicana 10
JO - Giordania 10
SA - Arabia Saudita 10
TN - Tunisia 10
JM - Giamaica 9
LB - Libano 9
AZ - Azerbaigian 8
BH - Bahrain 8
ET - Etiopia 8
MY - Malesia 8
OM - Oman 8
CR - Costa Rica 7
IR - Iran 7
LT - Lituania 7
NG - Nigeria 7
NP - Nepal 7
BG - Bulgaria 6
BO - Bolivia 6
HN - Honduras 6
PH - Filippine 6
GA - Gabon 5
GR - Grecia 5
IE - Irlanda 5
LK - Sri Lanka 5
PT - Portogallo 5
SK - Slovacchia (Repubblica Slovacca) 5
DK - Danimarca 4
HU - Ungheria 4
KG - Kirghizistan 4
LA - Repubblica Popolare Democratica del Laos 4
QA - Qatar 4
TW - Taiwan 4
XK - ???statistics.table.value.countryCode.XK??? 4
BY - Bielorussia 3
CH - Svizzera 3
GY - Guiana 3
LV - Lettonia 3
MN - Mongolia 3
SY - Repubblica araba siriana 3
BN - Brunei Darussalam 2
CG - Congo 2
CI - Costa d'Avorio 2
DM - Dominica 2
HR - Croazia 2
KH - Cambogia 2
KW - Kuwait 2
ML - Mali 2
NI - Nicaragua 2
Totale 19.501
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Città #
Singapore 1.168
Chandler 1.165
Jacksonville 846
Boardman 486
Dallas 448
Dearborn 423
San Mateo 359
Beijing 331
Ho Chi Minh City 299
Vienna 269
Ashburn 267
Dakar 227
Hong Kong 227
Roxbury 199
Lawrence 197
Shanghai 177
Seoul 175
Izmir 165
New York 160
Hanoi 157
Hefei 138
Munich 123
Des Moines 122
Ottawa 110
São Paulo 99
Bremen 91
Helsinki 86
Rende 83
Ogden 81
Ann Arbor 78
Brooklyn 76
Los Angeles 71
Wilmington 71
Florence 69
Grafing 55
Kocaeli 55
Columbus 53
Inglewood 50
Rio de Janeiro 46
The Dalles 46
Seattle 42
Turku 42
Haiphong 39
Brussels 38
Da Nang 36
San Francisco 36
Guangzhou 33
Santa Clara 33
Tianjin 33
Cosenza 32
Wuhan 30
Brasília 27
Biên Hòa 26
Council Bluffs 26
Mexico City 26
Brno 25
Toronto 24
Johannesburg 23
Quito 23
Baghdad 22
Tashkent 22
Warsaw 22
Belo Horizonte 21
Curitiba 21
Jakarta 21
Cambridge 20
Cairo 19
Pune 19
Frankfurt am Main 18
Guayaquil 18
Porto Alegre 18
Dhaka 17
Hải Dương 17
Jiaxing 17
Phoenix 17
Amsterdam 16
Guarulhos 16
London 16
Tokyo 16
Asunción 15
Chicago 15
Ninh Bình 15
Nuremberg 15
Redwood City 15
Thái Bình 15
Montreal 14
Napoli 14
Boston 13
Buenos Aires 13
Joinville 13
Leawood 13
Manchester 13
Monmouth Junction 13
Montevideo 13
Nairobi 13
Phủ Lý 13
Salvador 13
Santiago 13
Stockholm 13
Atlanta 12
Totale 10.601
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Nome #
B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations 319
Anionic Cyclometalated Pt(II) and Pt(IV) Complexes Respectively Bearing One or Two 1,2-Benzenedithiolate Ligands 186
A Novel Catalytic Two-Step Process for Preparation of Rigid Polyurethane Foams: Synthesis, Mechanism and Computational Studies 172
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol 165
A promising marriage between theory and experiment : density functional method versus mass spectrometry 164
Antitumor Platinium(IV) Prodrugs: A Systematic Computational Exploration of Their Reduction Mechanism by l -Ascorbic Acid 162
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE 146
"Density functional theory as a tool for the prediction of the properties in molecules with biological and pharmacological significance" 145
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 145
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug 145
Anticancer Activity, DNA Binding, and Photodynamic Properties of a N^C^N-Coordinated Pt(II) Complex 142
BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on1O2photosensitization 142
Absorption Spectra of the Potential Photodynamic Therapy Photosensitisers Texaphyrins Complexes: A Theoretical Analysis 137
''Geometrical structure, dipole moments, ionizational potentials and vibrational frequences of CH2 and halocarbenes 135
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations 135
Acetylene Cyclotrimerization by Early Second-Row Transition Metals in the Gas Phase. A Theoretical Study 134
Sequestering Ability of a Synthetic Chelating Agent towards Copper(II) and Iron(III): A Detailed Theoretical and Experimental Analysis 134
Complexation of Al3+and Ni2+by l -Ascorbic Acid: An Experimental and Theoretical Investigation 133
A Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3 and CH4 Molecules 133
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 132
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 130
About the Mulliken electronegativity in DFT 129
Heteroleptic Cu(ii) saccharin complexes: Intriguing coordination modes and properties 129
A DFT study of the NO adsorption on Pdn (n = 1–4) clusters 128
Can BODIPY Dimers Act as Photosensitizers in Photodynamic Therapy? A Theoretical Prediction 127
A comparative computational mechanistic study on derivatives of pyriplatin, modified with the –CH2Ph3P+ group, as anticancer complexes targeting mitochondria 126
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study 125
Theoretical determination of the aquation reaction mechanism of cyclometalated benzimidazole Ru(II) and Ir(III) anticancer complexes 123
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 123
Theoretical exploration of the reduction reaction of monofunctional phenanthriplatin Pt(IV) prodrugs 122
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 121
A Time-Dependent Density Functional Study of a Non-Aromatic [1.1.1.1.1]-Pentaphyrin and Its Lutetium Complex 119
A quasilinear RISM approach for the computation of salvation free energy of ionic species 119
Curcumin-based ionic Pt(II) complexes: antioxidant and antimicrobial activity 118
Glutathione activation of an organometallic half-sandwich anticancer drug candidate by ligand attack 118
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 118
Rationalization of the Superior Anticancer Activity of Phenanthriplatin: An In-Depth Computational Exploration 118
Catalytic Role of Dinuclear σ,π-Acetylide Gold(I) Complexes in the Hydroamination of Terminal Alkynes: Theoretical Insights 117
Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights 117
Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation 117
Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIVProdrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems 115
Exploring the structure-performance relationship of sulfonated polysulfone proton exchange membrane by a combined computational and experimental approach 115
COMBINED MOLECULAR MECHANICS, MOLECULAR DYNAMICS AND QUANTUM MECHANICAL STUDY OF (1)-MULTIFIDENE STRUCTURE AND CONFORMATION 113
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines 112
Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes 112
Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers 112
Experimental and theoretical study of the complexation of Fe3+ and Cu2+ by l‑ascorbic acid in aqueous solution 111
Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: a theoretical study 110
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine 108
Experimental and Computational Investigations of Carboplatin Supramolecular Complexes 103
Flavin-mediated photoactivation of Pt(IV) anticancer complexes: computational insights on the catalytic mechanism 102
Copper-Catalyzed Glutathione Oxidation is Accelerated by the Anticancer Thiosemicarbazone Dp44mT and Further Boosted at Lower pH 101
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 101
Is the cytotoxic activity of phenanthriplatin dependent on the specific size of the phenanthridine ligand π system? 101
The Role of Chelating Phosphine Rhodium Complexes in Dehydrocoupling Reactions of Amine-Boranes: A Theoretical Investigation Attempting To Rationalize the Observed Behaviors 100
The influence of surface oxygen and hydroxyl group on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study 100
Iodido equatorial ligands influence on the mechanism of action of Pt(IV) and Pt(II) anti-cancer complexes: A DFT computational study 100
Elusive Intermediates in the Breakdown Reactivity Patterns of Prodrug Platinum(IV) Complexes 99
The geometric effect in palladium–gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis? 98
Graphical interactive strategy for the analysis of NMR spectra in liquid-crystalline phases 98
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics 98
Activation of methane by iron dimer cation. A Theoretical study 96
Anticancer Activity, Reduction Mechanism and G-Quadruplex DNA Binding of a Redox-Activated Platinum(IV)–Salphen Complex 95
Synthesis, Characterization and Host-Guest Complexation of Asplatin: Improved In Vitro Cytotoxicity and Biocompatibility as Compared to Cisplatin 95
Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives 94
Host-Guest Complexation of Oxaliplatin and Para-Sulfonatocalix[n]Arenes for Potential Use in Cancer Therapy 94
Mechanism of action of the curcumin cis-diammineplatinum(ii) complex as a photocytotoxic agent 94
Gas-phase chemistry of actinides ions: new insights into the reaction of UO+ and UO2+ with water 92
Activation by Glutathione in Hypoxic Environment of an Azo‐based Rhodamine Activatable Photosensitizer. A Computational Elucidation 92
Determination of the heat of formation of oxygen containing radicals using density functional theory 90
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models 90
Analysis of the Fragmentation Pathways for the Collision-Induced Dissociation of Protonated Cyclophosphamide: A Mass Spectrometry and Quantum Mechanical Study 89
Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation 89
Investigation of the Inertness to Hydrolysis of Platinum(IV) Prodrugs 89
b-Hydrogen kinetic effect 89
Computational Analysis of the Behavior of BODIPY Decorated Monofunctional Platinum(II) Complexes in the Dark and under Light Irradiation 89
THE ANGLE OF TWIST BETWEEN THE 2 PHENYL RINGS IN THE NEMATIC LIQUID-CRYSTAL 4-NORMAL-PENTYL-4'-CYANOBIPHENYL 88
Singlet-triplt gap in HCl halocarbene 88
Computational Analysis of Photophysical Properties and Reactivity of a New Phototherapeutic Cyclometalated Au(III)-Hydride Complex 88
A detailed density functional theory exploration of the photodissociation mechanism of ruthenium complexes for photoactivated chemotherapy 87
Combined molecular mechanics, molecular dynamics and quantum chemical study of (+)-multifidene structure and conformation 86
The heat of formation of the O2H radical. A Density Functional Study 86
The heavy atom effect on Zn(II) phthalocyanine derivatives: a theoretical exploration of the photophysical properties 86
Heats of formation of oxygen containing radicals from local spin density computations 86
Fragmentation pathways analysis for the gas phase dissociation of protonated carnosine-oxaliplatin complexes 85
Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis 85
EH3 (E=N, P, As) and H2 Activation with N-Heterocyclic Silylene and Germylene Homologues 84
DFT Investigation of the Mechanism of Action of Organoiridium(III) Complexes As Anticancer Agents 84
Theoretical evaluation of quadrupole moments by using gaussian density functional method 83
Mass Spectrometric and Computational Investigation of the Protonated Carnosine−Carboplatin Complex Fragmentation 83
Density functional computations and mass spectrometric measurements. Can this coupling enlarge the knowledge of gas-phase chemistry? 83
The performance of density functional based methods in the description of selected biological systems and processes 83
Conformation and structure of ethane-1,2-dithiol from ab-initio HF and MP3 study 83
Heat of formation hydroperoxyl (HO2) radical determined using Density Functional Theory 82
Hydrolysis in acidic environment and degradation of satraplatin: a joint experimental and theoretical investigation 82
Atomic configurations of Pd atoms in PdAu(111) and PdAu(100) surface alloys:Ab initio density functional calculations 82
Mechanistic aspects of the reaction of Th+ and Th2+ with water in gas-phase 81
Constrained optimization procedure for finding transition states and reaction pathways in the framework of gaussian based density functional method: the case of isomerization reactions 81
Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation 81
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? 80
Totale 11.153
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Categoria #
all - tutte 122.240
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 122.240
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021913 0 0 0 0 0 198 23 185 57 245 46 159
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
2025/20266.506 1.329 518 837 1.064 2.216 542 0 0 0 0 0 0
Totale 19.747