IRIS
TOSCANO, Marirosa
 Distribuzione geografica
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Continente #
NA - Nord America 5467
EU - Europa 3650
AS - Asia 542
AF - Africa 96
OC - Oceania 15
Continente sconosciuto - Info sul continente non disponibili 13
SA - Sud America 12
Totale 9795
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Nazione #
US - Stati Uniti d'America 5278
UA - Ucraina 1827
DE - Germania 990
SE - Svezia 388
TR - Turchia 287
CN - Cina 229
CA - Canada 187
AT - Austria 161
SN - Senegal 94
IT - Italia 89
RO - Romania 68
GB - Regno Unito 38
BE - Belgio 31
FI - Finlandia 22
AU - Australia 15
EU - Europa 13
FR - Francia 13
BR - Brasile 4
HK - Hong Kong 4
NL - Olanda 4
PL - Polonia 4
SG - Singapore 4
CL - Cile 3
IE - Irlanda 3
IN - India 3
IR - Iran 3
SA - Arabia Saudita 3
AR - Argentina 2
CH - Svizzera 2
ID - Indonesia 2
JP - Giappone 2
PE - Perù 2
AM - Armenia 1
AZ - Azerbaigian 1
BG - Bulgaria 1
BO - Bolivia 1
BY - Bielorussia 1
ES - Italia 1
GR - Grecia 1
HR - Croazia 1
HU - Ungheria 1
IL - Israele 1
LU - Lussemburgo 1
MK - Macedonia 1
MX - Messico 1
NG - Nigeria 1
PA - Panama 1
PT - Portogallo 1
RU - Federazione Russa 1
SL - Sierra Leone 1
TH - Thailandia 1
VN - Vietnam 1
Totale 9795
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Città #
Jacksonville 1278
Chandler 1202
Dearborn 640
San Mateo 470
Roxbury 269
Lawrence 267
Izmir 260
Des Moines 167
Ottawa 159
Vienna 154
Bremen 101
Dakar 94
Grafing 92
Ann Arbor 91
Beijing 90
Wilmington 80
Inglewood 60
Boardman 55
Brooklyn 43
Cambridge 38
Rende 34
San Francisco 34
Brussels 31
Toronto 26
Helsinki 22
Jinan 22
Nanjing 18
Kocaeli 17
Woodbridge 17
Houston 13
Monmouth Junction 12
Nanchang 12
Leawood 11
Hefei 9
Shenyang 9
Ningbo 8
Norwalk 8
Redmond 8
Chicago 7
Hanover 7
London 7
Zhengzhou 7
Augusta 6
Melbourne 6
Taizhou 6
Andover 5
Changsha 5
Jiaxing 5
Redwood City 5
Sydney 5
Berlin 4
Canberra 4
Catania 4
Hangzhou 4
New York 4
Palermo 4
Pozzuoli 4
Singapore 4
Strasbourg 4
Tianjin 4
Warsaw 4
Amsterdam 3
Ashburn 3
Charlotte 3
Duncan 3
Haikou 3
Hebei 3
Kunming 3
Lanzhou 3
Riyadh 3
Wuhan 3
Ardabil 2
Baotou 2
Cinisello Balsamo 2
Dekalb 2
Fairfield 2
Falls Church 2
Frankfurt am Main 2
Graz 2
Guangzhou 2
Lima 2
Montreal 2
São Paulo 2
Taiyuan 2
Alexandreia 1
Aveiro 1
Bangkok 1
Bollebygd 1
Bologna 1
Borzonasca 1
Budapest 1
Chaoyang 1
Chengdu 1
Chongqing 1
Corigliano Calabro 1
Cuorgnè 1
Durham 1
Freetown 1
Fuzhou 1
Gaithersburg 1
Totale 6108
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Nome #
Density functional determination of energetics of formation of trans stilbene catalyzed by sulfenate anion 112
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE 84
Antioxidant properties of several coumarin– chalcone hybrids from theoretical insights 73
Anion-π weak interactions in a heteroaromatic calixarene receptor. A theoretical investigation 72
Adsorption of H2O and H2S on the (100) surface of silicon. A theoretical study 65
A non empirical and an MNDO study of N-Methyl-N'-Nitro-N-Nitrosoguanidine 64
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 63
Theoretical Investigation of the Action Mechanisms of N,N-Di-Alkylated Diarylamine Antioxidants. 62
A promising marriage between theory and experiment : density functional method versus mass spectrometry 61
A density functional study of borane and alane monoammoniate (BH3NH3, AlH3NH3) 60
A non empirical cluster model study of relaxation of the (111) surface of C, Si, Ge 58
A theoretical study on tautomerization process of dehydrated and monohydrated cytosine 57
Conformational behaviour of isomeric bithienyls. An ab initio study 57
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 57
Applicazione della spettroscopia NMR allo studio dei fenomeni di superficie 56
A theoretical study on tautomerization processes of dehydrated and monohydrated cytosine 55
Adsorption of CO on model clusters simulating the Ni(100) surface, studied by means of the LCGTO-LSD method 55
A comparative study of the antioxidant power of flavonoid catechin and its planar analogue 54
Molecular mechanics and dynamic of a- and b -amanitin 54
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 54
On the Electrochromic Properties of Borepins: A Computational Prediction 54
Antioxidant properties of phenolic compounds: H-atom versus electron transfer mechanism 53
Density Functional Predictions of Antioxidant Activity and UV Spectral Features of Nasutin A, Isonasutin, Ellagic Acid, and One of Its Possible Derivatives 53
Reaction Mechanism of Low-Spin Iron(III)- and Cobalt(III)-Containing Nitrile Hydratases: A Quantum Mechanics Investigation 53
Antioxidant properties of the Vam3 derivative of resveratrol 53
A Comparative Study of the Catalytic Mechanisms of the Zinc and Cadmium Containing Carbonic Anhydrase 52
On the interaction of halogen atoms with (111) and (100) surfaces of silicon 52
Cluster model study of the chemisorption of atoms and molecules on the basal plane of graphite 51
Potential Energy Surfaces for the Gas-Phase Interaction between α-Alanine and Alkali Metal Ions (Li+, Na+, K+). A Density Functional Study 51
A theoretical study on the protonation of nucleic acid pyrimidine and purine bases 50
A theoretical study of relaxation and reconstruction of the (111) surface of diamond 50
A theoretical study of the NO-C10H8 system as a model for the NO-graphite interaction 49
A density functional study of oxo-hydroxy tautomerism of 5-fluorouracil 49
Time-Dependent Density Functional Computations of the Spectrochemical Properties of Dithiolodithiole and Thiophene Electrochromic Systems 49
Theoretical evaluation of quadrupole moments by using gaussian density functional method 48
Photophysical properties of nitrated and halogenated phosphorus tritolylcorrole complexes: Insights from theory 48
Can BODIPY Dimers Act as Photosensitizers in Photodynamic Therapy? A Theoretical Prediction 48
Acceptor ability and donor strength of biphenyl-like-a diimine ligands. A theoretical and gas-phase UV photoelectron spectroscopic study 47
A theoretical study of NO-graphite system 47
The fragmentation of C2H6N+ ions: An Alternative mechanism 46
Tri-Esterase and Promiscuous Di-Esterase Activities of a di-Co(II)containing Organo-Phosphate Degrading Enzyme Reaction Mechanisms 46
Absolute proton affinities and gas-phase basicities of nitrogen containing compounds. A gaussian density functional study 46
Proton affinity and protonation sites of aniline. Energetic behavior and density functional reactivity indices 45
“A comparative study of the catalyric mechanisms of zinc and cadmium carbonic anhidrase” 45
Interaction of the Mn2+, Co2+, Ni2+, and Zn2+ with Prion Protein HGGGW Pentapeptide Model 45
Interaction of Cu+ and Cu2+ ions with a-alanine. A density functional study 45
Interaction of carbon atoms with the basal plane of graphite. A theoretical study of the chemisorption on model finite cluster compounds 45
Conformation and structure of ethane-1,2-dithiol from ab-initio HF and MP3 study 45
A Proposal for Mitochondrial Processing Peptidase Catalytic Mechanism 44
Catalytic activity of a æ-class zinc and cadmium containing carbonic anhydrase. Compared work mechanisms 44
Antioxidant Properties Comparative Study of Natural Hydroxycinnamic Acids and Structurally Modified Derivatives: Computational Insights 44
Molecular quadrupole moments 44
Singlet-triplt gap in HCl halocarbene 44
The role of glutathione in cadmium ion detoxi.cation: Coordination modes and binding properties – A density functional study 44
Conformational behaviour of aromatic systems. part. X. Isomeric phenyl-pyrrole 43
Hydrogen chemisorption on the Ni(100) surface:electronic and magnetic properties from a local spin density study 43
Structural and Binding Properties of Metal Ion Chelators Relevant to Alzheimer’s Disease. A Theoretical Investigation 43
The structure of ammonia-boryl radical [BH2NH3], an inorganic analogue of the ethyl radical. A non empirical study 43
Continuum dielectric models for the solvent and density functional theory: the state-of-the-art 43
Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes 43
Density functional study of the antioxidant activity of some recently synthesized resveratrol analogues 43
A non empirical study of the conformational behaviour and molecular structure of nicotamide 43
Density functional study of oxo-hydroxy tautomerism of 5-fluorouracil 42
''Geometrical structure, dipole moments, ionizational potentials and vibrational frequences of CH2 and halocarbenes 42
Geometric and electronic structure of ground and excited states of group VA diatomics. A theoretical LCGTO-MP-LSD study 42
Geometrical, spectroscopic, and magnetic properties of an oxygen atom adsorbed on Ni(100) surface 42
Establishing the Catalytic Mechanism of Human Pancreatic α-Amylase with QM/MM Methods 42
Density Functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent 42
Theoretical study of molecular and dissociative adsorption of ethylene on silicon and germanium (100) surfaces 42
Calculation of proton affinities and absolute gas-phase basicities of X3 group VI triatomics. A density functional study 42
Hydrogen chemisorption on the Ni(100) surfaces: Electronic and magnetic properties from a local spin density study 42
The performance of density functional based methods in the description of selected biological systems and processes 42
Gaussian density functional study for small neutral (Aln), positive (Aln+) and negative (Aln-)aluminium clustera (n= 2-5) 42
Fragmentation of [C2H6N]+ ion: an alternative mechanism 42
Computational mechanistic insights on the NO oxidation reaction catalyzed by non-heme biomimetic Cr-N-tetramethylated cyclam complexes 42
Density functional computations of proton affinity and gas-phase basicity of proline 41
Model cluster and electronic characteristic of deep-level impurities in silicon 41
Gaussian density functional study far small Aln, Aln+ and Aln- clusters 41
Catalytic mechanism of the arylsulfatase promiscuous enzyme from Pseudomonas aeruginosa 41
Conformational behaviour of aromatic systems. Part X. Isomeric phenyl-pyrroles 41
Molecular mechanics and dynamics of a- and b-amanitin 41
Interaction of Li+, Na+, and K+ with the Proline Amino Acid. Complexation Modes, Potential Energy Profiles, and Metal Ion Affinities 41
The interactions of Al and Al+ with water: Potential energy surface for the dehydrogenation reaction 41
Chemisorption of atomic and molecular oxygen on (100) surface of silicon. A theoretical study 41
Theoretical investigation on DNA/RNA base pairs mediated by copper, silver, and gold cations 40
Model clusters and electronic characteristics of deep-level impurities in silicon 40
Interaction of acetylene with Si and Ge(100)surfaces. A theoretical study 40
Theoretical study of impurities in silicon:substitutional oxygen and sulfur 40
Gaussian density functional method: An alternative tool for the prediction of physico-chemical properties 40
Theoretical study of oxygen chemisorption on (111) and (100) silicon surfaces 40
The effects of the metal ion substitution into the active site of metalloenzymes: A theoretical insight on some selected cases 40
The contribution of density functional theory to the atomistic knowledge of electrochromic processes 40
Structure, conformation and electronic properties of apigenin, luteolin and taxifolin antioxidants. A first principle theoretical study 39
Computational investigation on the Mechanism of amide bond formation by using phosphine-based redox catalysis 39
Conformational behaviour of nonfused biheterocycles. The case of isomeric phenylfurans 39
On the interaction of bare and hydrated aluminium ion with nucleic acid bases and monophosphate nucleotides 38
On the Pt+ and Rh+ Catalytic Activity in the Nitrous Oxide Reduction by Carbon Monoxide 38
Theoretical prediction of nuclear quadrupole coupling constants of DNA and RNA nucleic acid bases 38
Theoretical study of oxygen chemisorption 0n (111) and (100) silicon surface 38
Cluster-model study on the adsorption of atoms and molecules on the basal plane of graphite 38
Totale 4788
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Categoria #
all - tutte 32669
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 32669
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2017/201819 0000 00 00 10036
2018/2019537 0311 2535 26 422600
2019/20202640 2902612263 170653 197318 6233271120
2020/20212005 3221259275 0269 18264 1028255250
2021/20222226 23300399 189151 14548 1921309550
2022/20232332 30419054345 470290 54292 333000
Totale 9852