IRIS
SICILIA, Emilia
 Distribuzione geografica
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Continente #
NA - Nord America 5.226
EU - Europa 3.202
AS - Asia 803
AF - Africa 229
SA - Sud America 18
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 10
AN - Antartide 1
Totale 9.500
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Nazione #
US - Stati Uniti d'America 5.095
UA - Ucraina 1.394
DE - Germania 755
AT - Austria 292
SE - Svezia 290
IT - Italia 285
CN - Cina 249
HK - Hong Kong 237
TR - Turchia 230
SN - Senegal 226
CA - Canada 131
FI - Finlandia 58
BE - Belgio 33
IN - India 30
GB - Regno Unito 29
FR - Francia 25
JP - Giappone 15
SG - Singapore 13
BR - Brasile 12
NL - Olanda 12
EU - Europa 11
AU - Australia 10
ES - Italia 9
KR - Corea 7
RU - Federazione Russa 7
IR - Iran 4
VN - Vietnam 4
AL - Albania 3
EG - Egitto 3
HU - Ungheria 3
ID - Indonesia 3
TW - Taiwan 3
AE - Emirati Arabi Uniti 2
EC - Ecuador 2
GR - Grecia 2
MY - Malesia 2
PE - Perù 2
PL - Polonia 2
AR - Argentina 1
BO - Bolivia 1
CH - Svizzera 1
GS - Georgia del Sud e Isole Sandwich Australi 1
LK - Sri Lanka 1
PH - Filippine 1
PK - Pakistan 1
RO - Romania 1
RS - Serbia 1
SA - Arabia Saudita 1
Totale 9.500
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Città #
Chandler 1.167
Jacksonville 853
Dearborn 427
San Mateo 361
Vienna 262
Dakar 226
Roxbury 201
Lawrence 199
Izmir 166
New York 127
Des Moines 123
Ottawa 110
Ashburn 105
Bremen 92
Shanghai 86
Ann Arbor 85
Ogden 82
Rende 76
Wilmington 72
Florence 69
Beijing 64
Helsinki 58
Grafing 56
Kocaeli 55
Brooklyn 51
Inglewood 50
Seattle 38
Brussels 33
Boardman 31
Hong Kong 28
Cosenza 23
San Francisco 23
Cambridge 20
Toronto 19
Pune 18
Redwood City 15
Napoli 14
Leawood 13
Monmouth Junction 13
Guangzhou 12
Los Angeles 10
Nanjing 10
Augusta 8
Hebei 8
Nanchang 8
Mascalucia 7
Norwalk 7
Seoul 7
Woodbridge 7
Hefei 6
Hontanares de Eresma 6
Redmond 6
Rome 6
Chicago 5
Frankfurt am Main 5
Kunming 5
Melbourne 5
Shenyang 5
Taizhou 5
Wuhan 5
Changsha 4
Diadema 4
Gunzenhausen 4
Hanoi 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
Hangzhou 3
Hsinchu 3
Kilburn 3
Meieki 3
Moscow 3
Mumbai 3
Palermo 3
Tirana 3
Tokyo 3
Zhengzhou 3
Cairo 2
Falkenstein 2
Fuzhou 2
Graz 2
Grimsby 2
Hanover 2
Houston 2
Jiaxing 2
Jingumae 2
Kiev 2
Kuala Lumpur 2
Latina 2
Lima 2
Makassar 2
Totale 5.770
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Nome #
B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations 267
Anionic Cyclometalated Pt(II) and Pt(IV) Complexes Respectively Bearing One or Two 1,2-Benzenedithiolate Ligands 98
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol 96
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE 92
Antitumor Platinium(IV) Prodrugs: A Systematic Computational Exploration of Their Reduction Mechanism by l -Ascorbic Acid 91
Absorption Spectra of the Potential Photodynamic Therapy Photosensitisers Texaphyrins Complexes: A Theoretical Analysis 78
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 78
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug 76
BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on1O2photosensitization 75
A Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3 and CH4 Molecules 75
A promising marriage between theory and experiment : density functional method versus mass spectrometry 74
Theoretical determination of the aquation reaction mechanism of cyclometalated benzimidazole Ru(II) and Ir(III) anticancer complexes 74
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 73
A Novel Catalytic Two-Step Process for Preparation of Rigid Polyurethane Foams: Synthesis, Mechanism and Computational Studies 73
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study 72
Complexation of Al3+and Ni2+by l -Ascorbic Acid: An Experimental and Theoretical Investigation 72
About the Mulliken electronegativity in DFT 71
Anticancer Activity, DNA Binding, and Photodynamic Properties of a N^C^N-Coordinated Pt(II) Complex 71
Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers 71
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines 69
Sequestering Ability of a Synthetic Chelating Agent towards Copper(II) and Iron(III): A Detailed Theoretical and Experimental Analysis 69
A Time-Dependent Density Functional Study of a Non-Aromatic [1.1.1.1.1]-Pentaphyrin and Its Lutetium Complex 68
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 68
Acetylene Cyclotrimerization by Early Second-Row Transition Metals in the Gas Phase. A Theoretical Study 67
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 66
Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIVProdrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems 66
Glutathione activation of an organometallic half-sandwich anticancer drug candidate by ligand attack 66
The influence of surface oxygen and hydroxyl group on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study 65
Heteroleptic Cu(ii) saccharin complexes: Intriguing coordination modes and properties 65
The geometric effect in palladium–gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis? 63
Catalytic Role of Dinuclear σ,π-Acetylide Gold(I) Complexes in the Hydroamination of Terminal Alkynes: Theoretical Insights 63
Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights 63
A quasilinear RISM approach for the computation of salvation free energy of ionic species 62
Activation of methane by iron dimer cation. A Theoretical study 62
A comparative computational mechanistic study on derivatives of pyriplatin, modified with the –CH2Ph3P+ group, as anticancer complexes targeting mitochondria 61
A DFT study of the NO adsorption on Pdn (n = 1–4) clusters 60
"Density functional theory as a tool for the prediction of the properties in molecules with biological and pharmacological significance" 60
DFT Investigation of the Mechanism of Action of Organoiridium(III) Complexes As Anticancer Agents 60
Rationalization of the Superior Anticancer Activity of Phenanthriplatin: An In-Depth Computational Exploration 60
The heat of formation of the O2H radical. A Density Functional Study 59
The Role of Chelating Phosphine Rhodium Complexes in Dehydrocoupling Reactions of Amine-Boranes: A Theoretical Investigation Attempting To Rationalize the Observed Behaviors 59
Theoretical exploration of the reduction reaction of monofunctional phenanthriplatin Pt(IV) prodrugs 59
Exploring the structure-performance relationship of sulfonated polysulfone proton exchange membrane by a combined computational and experimental approach 59
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine 58
Gas-phase chemistry of actinides ions: new insights into the reaction of UO+ and UO2+ with water 58
Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: a theoretical study 58
Can BODIPY Dimers Act as Photosensitizers in Photodynamic Therapy? A Theoretical Prediction 58
''Geometrical structure, dipole moments, ionizational potentials and vibrational frequences of CH2 and halocarbenes 55
Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation 53
Fragmentation pathways analysis for the gas phase dissociation of protonated carnosine-oxaliplatin complexes 53
Heats of formation of oxygen containing radicals from local spin density computations 53
Graphical interactive strategy for the analysis of NMR spectra in liquid-crystalline phases 52
Atomic configurations of Pd atoms in PdAu(111) and PdAu(100) surface alloys:Ab initio density functional calculations 52
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
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
Homogeneous Gold Catalysis: Hydration of 1,2-Diphenylacetylenewith Methanol in Aqueous Media. A Theoretical Viewpoint 51
Conformation and structure of ethane-1,2-dithiol from ab-initio HF and MP3 study 51
COMBINED MOLECULAR MECHANICS, MOLECULAR DYNAMICS AND QUANTUM MECHANICAL STUDY OF (1)-MULTIFIDENE STRUCTURE AND CONFORMATION 50
Mass Spectrometric and Computational Investigation of the Protonated Carnosine−Carboplatin Complex Fragmentation 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
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations 50
Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation 50
Heat of formation hydroperoxyl (HO2) radical determined using Density Functional Theory 49
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models 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
LANL2DZ basis sets recontracted in the framework of density functional theory 49
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics 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
Is the cytotoxic activity of phenanthriplatin dependent on the specific size of the phenanthridine ligand π system? 49
Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives 48
Activation of methane by the iron dimer cation. A theoretical study 48
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 48
Determination of the heat of formation of oxygen containing radicals using density functional theory 47
The performance of density functional based methods in the description of selected biological systems and processes 47
Singlet-triplt gap in HCl halocarbene 47
Mechanism of action of the curcumin cis-diammineplatinum(ii) complex as a photocytotoxic agent 47
Density functional potential energy hypersurface of protonated ozone: a comparison between different gradient-corrected nonlocal functionals 46
Magnesium amidoborane monoammoniate: Plane-wave DFT calculations 46
b-Hydrogen kinetic effect 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
Can a molybdenum atom bind with nitrogen molecule? A systematic density functional study 45
Molecular quadrupole moments 45
Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis 45
Continuum dielectric models for the solvent and density functional theory: the state-of-the-art 45
Host-Guest Complexation of Oxaliplatin and Para-Sulfonatocalix[n]Arenes for Potential Use in Cancer Therapy 45
EH3 (E=N, P, As) and H2 Activation with N-Heterocyclic Silylene and Germylene Homologues 44
Hydration of Ionic Species Studied by the Reference Interaction Site Model with a Repulsive Bridge Correction 44
Elusive Intermediates in the Breakdown Reactivity Patterns of Prodrug Platinum(IV) Complexes 44
Density functional theory calculations of nuclear quadrupole coupling constants with calibrated 14N Quadrupole Moments 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 43
On the Interaction between Manganese Cation (Mn2+) and the Nucleic Acid Bases (T,U,C,A,G) in the Gas Phase 43
Theoretical Investigation of the Mechanism of Acid-Catalyzed Oxygenation of a Pd(II)- Hydride to Produce a Pd(II)-Hydroperoxide 43
Theoretical prediction of nuclear quadrupole coupling constants of DNA and RNA nucleic acid bases 42
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 42
Iodido equatorial ligands influence on the mechanism of action of Pt(IV) and Pt(II) anti-cancer complexes: A DFT computational study 42
Totale 5.963
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Categoria #
all - tutte 61.594
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 61.594
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019167 0 0 0 0 0 0 0 0 0 0 166 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
2022/20232.959 279 298 96 336 447 291 7 553 299 73 180 100
2023/2024998 192 71 81 47 60 198 62 96 148 41 2 0
Totale 9.656