IRIS
SICILIA, Emilia
 Distribuzione geografica
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Continente #
NA - Nord America 4.939
EU - Europa 3.515
AS - Asia 663
AF - Africa 229
SA - Sud America 14
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 10
AN - Antartide 1
Totale 9.382
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Nazione #
US - Stati Uniti d'America 4.808
UA - Ucraina 1.394
DE - Germania 755
AT - Austria 584
SE - Svezia 290
IT - Italia 280
TR - Turchia 230
SN - Senegal 226
HK - Hong Kong 209
CN - Cina 162
CA - Canada 131
BE - Belgio 58
FI - Finlandia 58
IN - India 30
GB - Regno Unito 26
FR - Francia 23
JP - Giappone 15
NL - Olanda 12
EU - Europa 11
AU - Australia 10
CZ - Repubblica Ceca 9
ES - Italia 9
BR - Brasile 8
IR - Iran 4
RU - Federazione Russa 4
AL - Albania 3
EG - Egitto 3
HU - Ungheria 3
TW - Taiwan 3
AE - Emirati Arabi Uniti 2
EC - Ecuador 2
GR - Grecia 2
PE - Perù 2
PL - Polonia 2
SG - Singapore 2
AR - Argentina 1
BO - Bolivia 1
CH - Svizzera 1
GS - Georgia del Sud e Isole Sandwich Australi 1
ID - Indonesia 1
LK - Sri Lanka 1
PH - Filippine 1
PK - Pakistan 1
RO - Romania 1
RS - Serbia 1
SA - Arabia Saudita 1
VN - Vietnam 1
Totale 9.382
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Città #
Chandler 1.167
Jacksonville 853
Vienna 490
Dearborn 427
San Mateo 361
Dakar 226
Roxbury 201
Lawrence 199
Izmir 166
Des Moines 123
Ottawa 110
Bremen 92
Ann Arbor 85
Rende 76
Wilmington 72
Florence 69
Beijing 64
Ashburn 62
Brussels 58
Helsinki 58
Grafing 56
Kocaeli 55
Brooklyn 51
Inglewood 50
Boardman 31
San Francisco 23
Cosenza 22
New York 21
Cambridge 20
Toronto 19
Pune 18
Redwood City 15
Napoli 14
Leawood 13
Monmouth Junction 13
Guangzhou 12
Nanjing 10
Brno 9
Augusta 8
Hebei 8
Nanchang 8
Mascalucia 7
Norwalk 7
Woodbridge 7
Hefei 6
Hontanares de Eresma 6
Redmond 6
Rome 6
Chicago 5
Kunming 5
Melbourne 5
Seattle 5
Shenyang 5
Taizhou 5
Wuhan 5
Changsha 4
Gunzenhausen 4
Hanover 4
Jinan 4
Koraput 4
London 4
Ningbo 4
Tianjin 4
Washington 4
Amsterdam 3
Ardabil 3
Berlin 3
Canberra 3
Duncan 3
Falls Church 3
Frankfurt am Main 3
Hsinchu 3
Meieki 3
Mumbai 3
Palermo 3
Tirana 3
Tokyo 3
Zhengzhou 3
Boydton 2
Cairo 2
Falkenstein 2
Fuzhou 2
Graz 2
Grimsby 2
Hangzhou 2
Houston 2
Jiaxing 2
Jingumae 2
Kiev 2
Latina 2
Lima 2
Munich 2
Pamplona 2
Paris 2
Pavia 2
Phoenix 2
Pizzo 2
Princeton 2
Quito 2
Salerno 2
Totale 5.637
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Nome #
B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations 264
Antitumor Platinium(IV) Prodrugs: A Systematic Computational Exploration of Their Reduction Mechanism by l -Ascorbic Acid 106
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol 92
Anionic Cyclometalated Pt(II) and Pt(IV) Complexes Respectively Bearing One or Two 1,2-Benzenedithiolate Ligands 92
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE 87
A Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3 and CH4 Molecules 87
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 85
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug 85
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 84
Theoretical determination of the aquation reaction mechanism of cyclometalated benzimidazole Ru(II) and Ir(III) anticancer complexes 83
BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on1O2photosensitization 83
A Novel Catalytic Two-Step Process for Preparation of Rigid Polyurethane Foams: Synthesis, Mechanism and Computational Studies 83
A promising marriage between theory and experiment : density functional method versus mass spectrometry 81
Anticancer Activity, DNA Binding, and Photodynamic Properties of a N^C^N-Coordinated Pt(II) Complex 78
Absorption Spectra of the Potential Photodynamic Therapy Photosensitisers Texaphyrins Complexes: A Theoretical Analysis 77
Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIVProdrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems 77
Heteroleptic Cu(ii) saccharin complexes: Intriguing coordination modes and properties 77
Acetylene Cyclotrimerization by Early Second-Row Transition Metals in the Gas Phase. A Theoretical Study 76
Glutathione activation of an organometallic half-sandwich anticancer drug candidate by ligand attack 76
A comparative computational mechanistic study on derivatives of pyriplatin, modified with the –CH2Ph3P+ group, as anticancer complexes targeting mitochondria 72
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study 70
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines 68
"Density functional theory as a tool for the prediction of the properties in molecules with biological and pharmacological significance" 68
Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers 68
The influence of surface oxygen and hydroxyl group on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study 66
Exploring the structure-performance relationship of sulfonated polysulfone proton exchange membrane by a combined computational and experimental approach 66
About the Mulliken electronegativity in DFT 65
A Time-Dependent Density Functional Study of a Non-Aromatic [1.1.1.1.1]-Pentaphyrin and Its Lutetium Complex 65
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 64
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 64
Sequestering Ability of a Synthetic Chelating Agent towards Copper(II) and Iron(III): A Detailed Theoretical and Experimental Analysis 64
Complexation of Al3+and Ni2+by l -Ascorbic Acid: An Experimental and Theoretical Investigation 63
Theoretical exploration of the reduction reaction of monofunctional phenanthriplatin Pt(IV) prodrugs 61
The geometric effect in palladium–gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis? 60
A DFT study of the NO adsorption on Pdn (n = 1–4) clusters 60
Activation of methane by iron dimer cation. A Theoretical study 60
Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights 59
Catalytic Role of Dinuclear σ,π-Acetylide Gold(I) Complexes in the Hydroamination of Terminal Alkynes: Theoretical Insights 58
Gas-phase chemistry of actinides ions: new insights into the reaction of UO+ and UO2+ with water 58
The heat of formation of the O2H radical. A Density Functional Study 57
DFT Investigation of the Mechanism of Action of Organoiridium(III) Complexes As Anticancer Agents 57
Rationalization of the Superior Anticancer Activity of Phenanthriplatin: An In-Depth Computational Exploration 57
The Role of Chelating Phosphine Rhodium Complexes in Dehydrocoupling Reactions of Amine-Boranes: A Theoretical Investigation Attempting To Rationalize the Observed Behaviors 56
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine 56
A quasilinear RISM approach for the computation of salvation free energy of ionic species 54
Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: a theoretical study 54
Can BODIPY Dimers Act as Photosensitizers in Photodynamic Therapy? A Theoretical Prediction 54
Fragmentation pathways analysis for the gas phase dissociation of protonated carnosine-oxaliplatin complexes 53
THE ANGLE OF TWIST BETWEEN THE 2 PHENYL RINGS IN THE NEMATIC LIQUID-CRYSTAL 4-NORMAL-PENTYL-4'-CYANOBIPHENYL 52
Mechanistic aspects of the reaction of Th+ and Th2+ with water in gas-phase 52
Homogeneous Gold Catalysis: Hydration of 1,2-Diphenylacetylenewith Methanol in Aqueous Media. A Theoretical Viewpoint 52
Heats of formation of oxygen containing radicals from local spin density computations 52
Combined molecular mechanics, molecular dynamics and quantum chemical study of (+)-multifidene structure and conformation 51
Theoretical evaluation of quadrupole moments by using gaussian density functional method 51
Atomic configurations of Pd atoms in PdAu(111) and PdAu(100) surface alloys:Ab initio density functional calculations 51
Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation 51
Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation 50
''Geometrical structure, dipole moments, ionizational potentials and vibrational frequences of CH2 and halocarbenes 50
COMBINED MOLECULAR MECHANICS, MOLECULAR DYNAMICS AND QUANTUM MECHANICAL STUDY OF (1)-MULTIFIDENE STRUCTURE AND CONFORMATION 50
Hydrolysis in acidic environment and degradation of satraplatin: a joint experimental and theoretical investigation 50
Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes 50
Graphical interactive strategy for the analysis of NMR spectra in liquid-crystalline phases 49
Investigation of the Inertness to Hydrolysis of Platinum(IV) Prodrugs 49
Interaction of CO with PdAu(111) and PdAu(100) Bimetallic Surfaces: A Theoretical Cluster Model Study 49
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 49
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models 48
Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives 48
LANL2DZ basis sets recontracted in the framework of density functional theory 48
Conformation and structure of ethane-1,2-dithiol from ab-initio HF and MP3 study 48
Analysis of the Fragmentation Pathways for the Collision-Induced Dissociation of Protonated Cyclophosphamide: A Mass Spectrometry and Quantum Mechanical Study 47
Heat of formation hydroperoxyl (HO2) radical determined using Density Functional Theory 47
Mass Spectrometric and Computational Investigation of the Protonated Carnosine−Carboplatin Complex Fragmentation 47
Activation of methane by the iron dimer cation. A theoretical study 47
Density functional potential energy hypersurface of protonated ozone: a comparison between different gradient-corrected nonlocal functionals 46
Determination of the heat of formation of oxygen containing radicals using density functional theory 46
Molecular quadrupole moments 46
Investigation of the host-guest complexation between 4-sulfocalix[4]arene and nedaplatin for potential use in drug delivery 46
The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study 46
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics 46
b-Hydrogen kinetic effect 45
The performance of density functional based methods in the description of selected biological systems and processes 45
Singlet-triplt gap in HCl halocarbene 45
Host-Guest Complexation of Oxaliplatin and Para-Sulfonatocalix[n]Arenes for Potential Use in Cancer Therapy 45
Mechanism of action of the curcumin cis-diammineplatinum(ii) complex as a photocytotoxic agent 45
Can a molybdenum atom bind with nitrogen molecule? A systematic density functional study 44
Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis 44
Is the cytotoxic activity of phenanthriplatin dependent on the specific size of the phenanthridine ligand π system? 44
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations 44
Continuum dielectric models for the solvent and density functional theory: the state-of-the-art 43
Experimental and Computational Investigations of Carboplatin Supramolecular Complexes 43
Mechanistic Insight into Protonolysis and Cis-Trans Isomerization of Benzylplatinum(II) Complexes Assisted by Weak Ligand-to-MetalInteractions. A Combined Kinetic and DFT Study 42
Insertion reaction of Mn+ bare metal cation into N-H and C-H bonds of ammonia and methane 42
EH3 (E=N, P, As) and H2 Activation with N-Heterocyclic Silylene and Germylene Homologues 42
Hydration of Ionic Species Studied by the Reference Interaction Site Model with a Repulsive Bridge Correction 42
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 42
On the Nature of the CP Bond in Phosphaalkynes 41
Density functional theory calculations of nuclear quadrupole coupling constants with calibrated 14N Quadrupole Moments 41
On the Interaction between Manganese Cation (Mn2+) and the Nucleic Acid Bases (T,U,C,A,G) in the Gas Phase 41
Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation 41
Theoretical prediction of nuclear quadrupole coupling constants of DNA and RNA nucleic acid bases 40
Totale 5.965
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Categoria #
all - tutte 50.788
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 50.788
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019196 0 0 0 0 0 3 2 3 13 8 166 1
2019/20201.816 190 172 3 178 107 428 122 249 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
2022/20233.230 279 298 96 336 447 291 95 585 323 98 237 145
2023/2024608 211 73 90 66 91 77 0 0 0 0 0 0
Totale 9.537