IRIS
SICILIA, Emilia
 Distribuzione geografica
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Continente #
NA - Nord America 5.763
EU - Europa 3.296
AS - Asia 1.675
AF - Africa 231
SA - Sud America 21
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 10
AN - Antartide 1
Totale 11.008
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Nazione #
US - Stati Uniti d'America 5.630
UA - Ucraina 1.394
DE - Germania 781
CN - Cina 587
SG - Singapore 531
IT - Italia 299
SE - Svezia 293
AT - Austria 292
HK - Hong Kong 241
TR - Turchia 232
SN - Senegal 226
CA - Canada 131
FI - Finlandia 65
BE - Belgio 35
IN - India 33
GB - Regno Unito 31
CZ - Repubblica Ceca 26
FR - Francia 26
JP - Giappone 15
NL - Olanda 15
BR - Brasile 12
EU - Europa 11
AU - Australia 10
ES - Italia 9
KR - Corea 7
RU - Federazione Russa 7
IR - Iran 4
PL - Polonia 4
TW - Taiwan 4
VN - Vietnam 4
AL - Albania 3
EG - Egitto 3
HU - Ungheria 3
ID - Indonesia 3
PE - Perù 3
AE - Emirati Arabi Uniti 2
AR - Argentina 2
EC - Ecuador 2
GR - Grecia 2
IL - Israele 2
LA - Repubblica Popolare Democratica del Laos 2
MY - Malesia 2
NG - Nigeria 2
PA - Panama 2
PT - Portogallo 2
BO - Bolivia 1
BY - Bielorussia 1
CH - Svizzera 1
CL - Cile 1
GS - Georgia del Sud e Isole Sandwich Australi 1
IE - Irlanda 1
IS - Islanda 1
LK - Sri Lanka 1
LT - Lituania 1
LV - Lettonia 1
PH - Filippine 1
PK - Pakistan 1
RO - Romania 1
RS - Serbia 1
SA - Arabia Saudita 1
SI - Slovenia 1
TH - Thailandia 1
UZ - Uzbekistan 1
Totale 11.008
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Città #
Chandler 1.167
Jacksonville 853
Boardman 491
Dearborn 427
Singapore 403
San Mateo 361
Vienna 262
Dakar 226
Roxbury 201
Lawrence 199
Shanghai 172
Izmir 166
New York 128
Des Moines 123
Ottawa 110
Ashburn 106
Bremen 92
Ann Arbor 85
Beijing 83
Ogden 82
Rende 76
Wilmington 72
Florence 69
Helsinki 65
Grafing 56
Kocaeli 55
Brooklyn 51
Inglewood 50
Seattle 38
Brussels 35
Cosenza 31
Hong Kong 30
Guangzhou 29
Wuhan 28
Los Angeles 27
Munich 26
Brno 25
San Francisco 24
Cambridge 20
Toronto 19
Pune 18
Jiaxing 16
Redwood City 15
Napoli 14
Leawood 13
Monmouth Junction 13
Santa Clara 12
Nanjing 10
Augusta 8
Hebei 8
Nanchang 8
Chicago 7
Hefei 7
Mascalucia 7
Norwalk 7
Seoul 7
Woodbridge 7
Hontanares de Eresma 6
Kunming 6
Redmond 6
Rome 6
Amsterdam 5
Frankfurt am Main 5
Hangzhou 5
Jinan 5
London 5
Melbourne 5
Shenyang 5
Shenzhen 5
Taizhou 5
Wuxi 5
Yiwu 5
Changsha 4
Diadema 4
Gunzenhausen 4
Hanoi 4
Jinhua 4
Koraput 4
Ningbo 4
Stockholm 4
Tianjin 4
Warsaw 4
Washington 4
Ardabil 3
Berlin 3
Canberra 3
Chizhou 3
Duncan 3
Falls Church 3
Fuzhou 3
Heze 3
Hsinchu 3
Hyderabad 3
Kilburn 3
Lima 3
Meieki 3
Milan 3
Moscow 3
Mumbai 3
Palermo 3
Totale 6.914
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Nome #
B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations 277
Anionic Cyclometalated Pt(II) and Pt(IV) Complexes Respectively Bearing One or Two 1,2-Benzenedithiolate Ligands 111
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol 105
Antitumor Platinium(IV) Prodrugs: A Systematic Computational Exploration of Their Reduction Mechanism by l -Ascorbic Acid 101
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE 99
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 88
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug 88
Absorption Spectra of the Potential Photodynamic Therapy Photosensitisers Texaphyrins Complexes: A Theoretical Analysis 86
A Novel Catalytic Two-Step Process for Preparation of Rigid Polyurethane Foams: Synthesis, Mechanism and Computational Studies 86
BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on1O2photosensitization 83
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study 82
Anticancer Activity, DNA Binding, and Photodynamic Properties of a N^C^N-Coordinated Pt(II) Complex 82
A promising marriage between theory and experiment : density functional method versus mass spectrometry 82
Complexation of Al3+and Ni2+by l -Ascorbic Acid: An Experimental and Theoretical Investigation 81
A Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3 and CH4 Molecules 81
Heteroleptic Cu(ii) saccharin complexes: Intriguing coordination modes and properties 81
Theoretical determination of the aquation reaction mechanism of cyclometalated benzimidazole Ru(II) and Ir(III) anticancer complexes 80
Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers 80
Sequestering Ability of a Synthetic Chelating Agent towards Copper(II) and Iron(III): A Detailed Theoretical and Experimental Analysis 80
About the Mulliken electronegativity in DFT 78
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines 78
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 78
Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights 77
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 75
Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIVProdrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems 75
A Time-Dependent Density Functional Study of a Non-Aromatic [1.1.1.1.1]-Pentaphyrin and Its Lutetium Complex 74
Acetylene Cyclotrimerization by Early Second-Row Transition Metals in the Gas Phase. A Theoretical Study 74
The influence of surface oxygen and hydroxyl group on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study 73
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine 73
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 73
Glutathione activation of an organometallic half-sandwich anticancer drug candidate by ligand attack 73
The geometric effect in palladium–gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis? 72
"Density functional theory as a tool for the prediction of the properties in molecules with biological and pharmacological significance" 72
Catalytic Role of Dinuclear σ,π-Acetylide Gold(I) Complexes in the Hydroamination of Terminal Alkynes: Theoretical Insights 71
Rationalization of the Superior Anticancer Activity of Phenanthriplatin: An In-Depth Computational Exploration 71
A quasilinear RISM approach for the computation of salvation free energy of ionic species 70
A comparative computational mechanistic study on derivatives of pyriplatin, modified with the –CH2Ph3P+ group, as anticancer complexes targeting mitochondria 70
Activation of methane by iron dimer cation. A Theoretical study 68
Can BODIPY Dimers Act as Photosensitizers in Photodynamic Therapy? A Theoretical Prediction 68
Theoretical exploration of the reduction reaction of monofunctional phenanthriplatin Pt(IV) prodrugs 68
The Role of Chelating Phosphine Rhodium Complexes in Dehydrocoupling Reactions of Amine-Boranes: A Theoretical Investigation Attempting To Rationalize the Observed Behaviors 67
A DFT study of the NO adsorption on Pdn (n = 1–4) clusters 67
Exploring the structure-performance relationship of sulfonated polysulfone proton exchange membrane by a combined computational and experimental approach 67
The heat of formation of the O2H radical. A Density Functional Study 66
Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: a theoretical study 66
''Geometrical structure, dipole moments, ionizational potentials and vibrational frequences of CH2 and halocarbenes 65
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 65
Gas-phase chemistry of actinides ions: new insights into the reaction of UO+ and UO2+ with water 64
DFT Investigation of the Mechanism of Action of Organoiridium(III) Complexes As Anticancer Agents 64
Graphical interactive strategy for the analysis of NMR spectra in liquid-crystalline phases 62
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations 62
Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation 61
b-Hydrogen kinetic effect 61
Heats of formation of oxygen containing radicals from local spin density computations 61
Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation 61
Fragmentation pathways analysis for the gas phase dissociation of protonated carnosine-oxaliplatin complexes 60
THE ANGLE OF TWIST BETWEEN THE 2 PHENYL RINGS IN THE NEMATIC LIQUID-CRYSTAL 4-NORMAL-PENTYL-4'-CYANOBIPHENYL 60
Mechanistic aspects of the reaction of Th+ and Th2+ with water in gas-phase 59
Homogeneous Gold Catalysis: Hydration of 1,2-Diphenylacetylenewith Methanol in Aqueous Media. A Theoretical Viewpoint 59
Theoretical evaluation of quadrupole moments by using gaussian density functional method 58
COMBINED MOLECULAR MECHANICS, MOLECULAR DYNAMICS AND QUANTUM MECHANICAL STUDY OF (1)-MULTIFIDENE STRUCTURE AND CONFORMATION 58
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models 58
Atomic configurations of Pd atoms in PdAu(111) and PdAu(100) surface alloys:Ab initio density functional calculations 58
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 58
Combined molecular mechanics, molecular dynamics and quantum chemical study of (+)-multifidene structure and conformation 57
Interaction of CO with PdAu(111) and PdAu(100) Bimetallic Surfaces: A Theoretical Cluster Model Study 57
Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes 57
Singlet-triplt gap in HCl halocarbene 57
Heat of formation hydroperoxyl (HO2) radical determined using Density Functional Theory 56
Mass Spectrometric and Computational Investigation of the Protonated Carnosine−Carboplatin Complex Fragmentation 56
Hydrolysis in acidic environment and degradation of satraplatin: a joint experimental and theoretical investigation 56
Insertion reaction of Mn+ bare metal cation into N-H and C-H bonds of ammonia and methane 56
LANL2DZ basis sets recontracted in the framework of density functional theory 56
Conformation and structure of ethane-1,2-dithiol from ab-initio HF and MP3 study 56
Is the cytotoxic activity of phenanthriplatin dependent on the specific size of the phenanthridine ligand π system? 56
Investigation of the Inertness to Hydrolysis of Platinum(IV) Prodrugs 55
The performance of density functional based methods in the description of selected biological systems and processes 55
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics 55
Determination of the heat of formation of oxygen containing radicals using density functional theory 54
Continuum dielectric models for the solvent and density functional theory: the state-of-the-art 54
Mechanism of action of the curcumin cis-diammineplatinum(ii) complex as a photocytotoxic agent 54
Iodido equatorial ligands influence on the mechanism of action of Pt(IV) and Pt(II) anti-cancer complexes: A DFT computational study 54
Experimental and theoretical study of the complexation of Fe3+ and Cu2+ by l‑ascorbic acid in aqueous solution 54
Can a molybdenum atom bind with nitrogen molecule? A systematic density functional study 53
Molecular quadrupole moments 53
Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives 53
Activation of methane by the iron dimer cation. A theoretical study 53
EH3 (E=N, P, As) and H2 Activation with N-Heterocyclic Silylene and Germylene Homologues 53
Curcumin-based ionic Pt(II) complexes: antioxidant and antimicrobial activity 52
Density functional potential energy hypersurface of protonated ozone: a comparison between different gradient-corrected nonlocal functionals 52
Magnesium amidoborane monoammoniate: Plane-wave DFT calculations 52
Investigation of the host-guest complexation between 4-sulfocalix[4]arene and nedaplatin for potential use in drug delivery 52
The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study 52
Elusive Intermediates in the Breakdown Reactivity Patterns of Prodrug Platinum(IV) Complexes 52
Host-Guest Complexation of Oxaliplatin and Para-Sulfonatocalix[n]Arenes for Potential Use in Cancer Therapy 52
Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis 50
Hydration of Ionic Species Studied by the Reference Interaction Site Model with a Repulsive Bridge Correction 50
Density functional theory calculations of nuclear quadrupole coupling constants with calibrated 14N Quadrupole Moments 49
Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation 49
Mechanistic Insight into Protonolysis and Cis-Trans Isomerization of Benzylplatinum(II) Complexes Assisted by Weak Ligand-to-MetalInteractions. A Combined Kinetic and DFT Study 48
Totale 6.801
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Categoria #
all - tutte 80.370
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 80.370
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.273 0 0 0 0 107 428 122 249 61 32 186 88
2020/20211.527 219 4 174 191 16 200 24 187 57 248 46 161
2021/20221.924 42 362 6 85 174 91 12 428 21 16 255 432
2022/20232.959 279 298 96 336 447 291 7 553 299 73 180 100
2023/20241.370 192 71 81 47 60 198 62 96 148 41 49 325
2024/20251.159 224 501 86 141 207 0 0 0 0 0 0 0
Totale 11.187