Distribuzione geografica
Continente #
NA - Nord America 3807
EU - Europa 2996
AS - Asia 416
AF - Africa 112
SA - Sud America 12
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 10
AN - ???statistics.table.value.continent.AN??? 1
Totale 7365
Nazione #
US - Stati Uniti d'America 3678
UA - Ucraina 1394
DE - Germania 717
AT - Austria 292
SE - Svezia 289
TR - Turchia 230
IT - Italia 186
CN - Cina 159
CA - Canada 129
SN - Senegal 109
BE - Belgio 32
FI - Finlandia 26
GB - Regno Unito 23
FR - Francia 19
EU - Europa 11
AU - Australia 10
IN - India 8
BR - Brasile 6
NL - Olanda 5
IR - Iran 4
AL - Albania 3
EG - Egitto 3
HU - Ungheria 3
JP - Giappone 3
AE - Emirati Arabi Uniti 2
EC - Ecuador 2
GR - Grecia 2
HK - Hong Kong 2
PE - Perù 2
PL - Polonia 2
SG - Singapore 2
AR - Argentina 1
BO - Bolivia 1
ES - Italia 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 7365
Città #
Chandler 1028
Jacksonville 853
Dearborn 427
San Mateo 361
Vienna 272
Roxbury 201
Lawrence 199
Izmir 166
Des Moines 123
Ottawa 110
Dakar 109
Bremen 92
Ann Arbor 85
Wilmington 72
Rende 70
Beijing 64
Grafing 56
Kocaeli 55
Brooklyn 51
Inglewood 50
Brussels 32
Boardman 31
Helsinki 26
San Francisco 23
Cambridge 20
Toronto 19
Redwood City 15
Napoli 14
Leawood 13
Monmouth Junction 13
Guangzhou 12
Nanjing 10
Augusta 8
Cosenza 8
Hebei 8
Nanchang 8
Mascalucia 7
Norwalk 7
Woodbridge 7
Hefei 6
New York 6
Redmond 6
Rome 6
Chicago 5
Kunming 5
Melbourne 5
Seattle 5
Shenyang 5
Taizhou 5
Wuhan 5
Changsha 4
Jinan 4
London 4
Ningbo 4
Tianjin 4
Amsterdam 3
Ardabil 3
Berlin 3
Canberra 3
Duncan 3
Falls Church 3
Frankfurt am Main 3
Mumbai 3
Palermo 3
Tirana 3
Tokyo 3
Zhengzhou 3
Cairo 2
Fuzhou 2
Graz 2
Gunzenhausen 2
Hangzhou 2
Hanover 2
Houston 2
Jiaxing 2
Kiev 2
Latina 2
Lima 2
Phoenix 2
Pizzo 2
Princeton 2
Quito 2
Singapore 2
Sydney 2
São Paulo 2
Tamm 2
Warsaw 2
Alexandreia 1
Andover 1
Athens 1
Baotou 1
Belgrade 1
Bilecik 1
Bologna 1
Borzonasca 1
Budapest 1
Central 1
Chongqing 1
Corigliano Calabro 1
Elk Grove Village 1
Totale 4893
Nome #
Anionic Cyclometalated Pt(II) and Pt(IV) Complexes Respectively Bearing One or Two 1,2-Benzenedithiolate Ligands 75
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol 69
Antitumor Platinium(IV) Prodrugs: A Systematic Computational Exploration of Their Reduction Mechanism by l -Ascorbic Acid 65
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 63
BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on1O2photosensitization 59
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 59
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study 58
A promising marriage between theory and experiment : density functional method versus mass spectrometry 58
The influence of surface oxygen and hydroxyl group on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study 57
Theoretical determination of the aquation reaction mechanism of cyclometalated benzimidazole Ru(II) and Ir(III) anticancer complexes 57
Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIVProdrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems 57
DFT Investigation of the Mechanism of Action of Organoiridium(III) Complexes As Anticancer Agents 56
Absorption Spectra of the Potential Photodynamic Therapy Photosensitisers Texaphyrins Complexes: A Theoretical Analysis 54
Complexation of Al3+and Ni2+by l -Ascorbic Acid: An Experimental and Theoretical Investigation 54
A Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3 and CH4 Molecules 54
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines 53
Acetylene Cyclotrimerization by Early Second-Row Transition Metals in the Gas Phase. A Theoretical Study 53
Gas-phase chemistry of actinides ions: new insights into the reaction of UO+ and UO2+ with water 53
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 52
About the Mulliken electronegativity in DFT 51
The Role of Chelating Phosphine Rhodium Complexes in Dehydrocoupling Reactions of Amine-Boranes: A Theoretical Investigation Attempting To Rationalize the Observed Behaviors 51
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 51
The heat of formation of the O2H radical. A Density Functional Study 50
B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations 50
Theoretical exploration of the reduction reaction of monofunctional phenanthriplatin Pt(IV) prodrugs 50
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug 50
Glutathione activation of an organometallic half-sandwich anticancer drug candidate by ligand attack 50
A Time-Dependent Density Functional Study of a Non-Aromatic []-Pentaphyrin and Its Lutetium Complex 49
Anticancer Activity, DNA Binding, and Photodynamic Properties of a N^C^N-Coordinated Pt(II) Complex 49
The geometric effect in palladium–gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis? 48
Theoretical evaluation of quadrupole moments by using gaussian density functional method 48
Catalytic Role of Dinuclear σ,π-Acetylide Gold(I) Complexes in the Hydroamination of Terminal Alkynes: Theoretical Insights 48
Heats of formation of oxygen containing radicals from local spin density computations 48
Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers 48
A quasilinear RISM approach for the computation of salvation free energy of ionic species 47
Heteroleptic Cu(ii) saccharin complexes: Intriguing coordination modes and properties 47
Graphical interactive strategy for the analysis of NMR spectra in liquid-crystalline phases 46
A DFT study of the NO adsorption on Pdn (n = 1–4) clusters 46
A Novel Catalytic Two-Step Process for Preparation of Rigid Polyurethane Foams: Synthesis, Mechanism and Computational Studies 46
Combined molecular mechanics, molecular dynamics and quantum chemical study of (+)-multifidene structure and conformation 45
Determination of the heat of formation of oxygen containing radicals using density functional theory 45
Atomic configurations of Pd atoms in PdAu(111) and PdAu(100) surface alloys:Ab initio density functional calculations 45
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine 45
Mechanistic aspects of the reaction of Th+ and Th2+ with water in gas-phase 45
Activation of methane by iron dimer cation. A Theoretical study 45
A comparative computational mechanistic study on derivatives of pyriplatin, modified with the –CH2Ph3P+ group, as anticancer complexes targeting mitochondria 45
Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights 45
Sequestering Ability of a Synthetic Chelating Agent towards Copper(II) and Iron(III): A Detailed Theoretical and Experimental Analysis 45
Exploring the structure-performance relationship of sulfonated polysulfone proton exchange membrane by a combined computational and experimental approach 45
Interaction of CO with PdAu(111) and PdAu(100) Bimetallic Surfaces: A Theoretical Cluster Model Study 44
Conformation and structure of ethane-1,2-dithiol from ab-initio HF and MP3 study 44
Can BODIPY Dimers Act as Photosensitizers in Photodynamic Therapy? A Theoretical Prediction 44
Heat of formation hydroperoxyl (HO2) radical determined using Density Functional Theory 43
Mass Spectrometric and Computational Investigation of the Protonated Carnosine−Carboplatin Complex Fragmentation 43
Hydrolysis in acidic environment and degradation of satraplatin: a joint experimental and theoretical investigation 43
Investigation of the Inertness to Hydrolysis of Platinum(IV) Prodrugs 43
Molecular quadrupole moments 43
Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis 43
Homogeneous Gold Catalysis: Hydration of 1,2-Diphenylacetylenewith Methanol in Aqueous Media. A Theoretical Viewpoint 43
Continuum dielectric models for the solvent and density functional theory: the state-of-the-art 43
Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation 42
''Geometrical structure, dipole moments, ionizational potentials and vibrational frequences of CH2 and halocarbenes 42
Fragmentation pathways analysis for the gas phase dissociation of protonated carnosine-oxaliplatin complexes 42
Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives 42
Activation of methane by the iron dimer cation. A theoretical study 41
Singlet-triplt gap in HCl halocarbene 41
Density functional potential energy hypersurface of protonated ozone: a comparison between different gradient-corrected nonlocal functionals 40
b-Hydrogen kinetic effect 40
Gaussian density functional method: An alternative tool for the prediction of physico-chemical properties 40
The performance of density functional based methods in the description of selected biological systems and processes 40
Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: a theoretical study 40
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics 40
Can a molybdenum atom bind with nitrogen molecule? A systematic density functional study 39
Investigation of the host-guest complexation between 4-sulfocalix[4]arene and nedaplatin for potential use in drug delivery 39
Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes 39
Feature of the potential energy surface for the CH3+O2 reaction channel 39
Rationalization of the Superior Anticancer Activity of Phenanthriplatin: An In-Depth Computational Exploration 39
Theoretical prediction of nuclear quadrupole coupling constants of DNA and RNA nucleic acid bases 38
LANL2DZ basis sets recontracted in the framework of density functional theory 38
Gold(I)-Catalyzed Hydration of 1,2- Phenylacetylene: Computational Insights 38
Hydration of Ionic Species Studied by the Reference Interaction Site Model with a Repulsive Bridge Correction 38
The heavy atom effect on Zn(II) phthalocyanine derivatives: a theoretical exploration of the photophysical properties 37
Oxidation of Ethylbenzene to Acetophenone with N-Doped Graphene: Insight from Theory 36
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models 36
Potential energy surfaces of metal-ligand interactions obtained using density functional theory 36
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 36
EH3 (E=N, P, As) and H2 Activation with N-Heterocyclic Silylene and Germylene Homologues 36
Constrained optimization procedure for finding transition states and reaction pathways in the framework of gaussian based density functional method: the case of isomerization reactions 35
On the use of density functional theory in the study of metal-ligand interactions. Some studied cases 35
Kinetic electron emission from Al surfaces by slow ions 35
Density functional investigation of the molecular geometries, harmonic vibrational frequencies, singlet-triplet energy separations, adiabatic ionization potential and electron affinities of XY2 (X=Si, Ge, Sn; Y= F, Cl) systems 35
Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single‐Center Aluminum (III) Catalyst and Quaternary Ammonium Salts 34
Density functional orbital reactivity indices. Fundamentals and applications 34
Potential energy surfaces of metal-ligand interaction obtained using density functional theory 34
"Density functional theory as a tool for the prediction of the properties in molecules with biological and pharmacological significance" 34
Spectroscopic constants of SiH2, GeH2, SnH2 and their cations and anions from density functional computations 34
Experimental and Computational Investigations of Carboplatin Supramolecular Complexes 34
Totale 4571
Categoria #
all - tutte 25836
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 25836

Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2017/201848 0000 00 120 94410
2018/2019375 0922 1663 23 1381661
2019/20201816 1901723178 107428 122249 613218688
2020/20211527 2194174191 16200 24187 5724846161
2021/20221924 42362685 17491 12428 2116255432
2022/20231818 27929896336 447291 710 0000
Totale 7517