Bicocca Open Archive

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BERTINI, LUCA
 Distribuzione geografica
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Continente #
NA - Nord America 6.494
EU - Europa 4.523
AS - Asia 2.196
SA - Sud America 147
AF - Africa 24
OC - Oceania 10
Continente sconosciuto - Info sul continente non disponibili 4
Totale 13.398
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Nazione #
US - Stati Uniti d'America 6.376
IT - Italia 1.144
DE - Germania 705
RU - Federazione Russa 676
SG - Singapore 666
CN - Cina 575
HK - Hong Kong 561
SE - Svezia 419
IE - Irlanda 381
UA - Ucraina 243
GB - Regno Unito 195
PL - Polonia 173
AT - Austria 167
VN - Vietnam 150
FR - Francia 132
BR - Brasile 122
CA - Canada 110
FI - Finlandia 80
IN - India 76
DK - Danimarca 58
NL - Olanda 44
ID - Indonesia 41
ES - Italia 30
TR - Turchia 29
BE - Belgio 26
KR - Corea 23
NO - Norvegia 12
ZA - Sudafrica 11
AR - Argentina 10
CL - Cile 10
IR - Iran 10
JP - Giappone 10
AU - Australia 8
IL - Israele 8
CH - Svizzera 7
CZ - Repubblica Ceca 7
MX - Messico 6
TH - Thailandia 6
TW - Taiwan 6
UZ - Uzbekistan 6
BD - Bangladesh 5
GR - Grecia 5
PK - Pakistan 5
IQ - Iraq 4
EC - Ecuador 3
EG - Egitto 3
KE - Kenya 3
LT - Lituania 3
PT - Portogallo 3
RO - Romania 3
TN - Tunisia 3
AE - Emirati Arabi Uniti 2
AM - Armenia 2
BG - Bulgaria 2
BH - Bahrain 2
EU - Europa 2
JO - Giordania 2
MA - Marocco 2
NZ - Nuova Zelanda 2
SC - Seychelles 2
A1 - Anonimo 1
A2 - ???statistics.table.value.countryCode.A2??? 1
AL - Albania 1
AZ - Azerbaigian 1
BA - Bosnia-Erzegovina 1
BO - Bolivia 1
BY - Bielorussia 1
DO - Repubblica Dominicana 1
EE - Estonia 1
IS - Islanda 1
KZ - Kazakistan 1
LA - Repubblica Popolare Democratica del Laos 1
LB - Libano 1
MD - Moldavia 1
OM - Oman 1
PA - Panama 1
PH - Filippine 1
PS - Palestinian Territory 1
PY - Paraguay 1
RS - Serbia 1
SK - Slovacchia (Repubblica Slovacca) 1
Totale 13.398
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Città #
Ann Arbor 1.250
Hong Kong 560
Woodbridge 511
Fairfield 500
Singapore 456
Milan 442
Wilmington 436
Frankfurt am Main 431
Chandler 428
Dublin 368
Houston 351
Ashburn 321
Jacksonville 231
Santa Clara 204
Dearborn 188
Seattle 186
Cambridge 169
Kraków 167
Vienna 159
Princeton 152
New York 147
Nanjing 93
Dong Ket 92
Shanghai 92
Moscow 83
Fremont 73
Altamura 63
Lawrence 63
Council Bluffs 48
Los Angeles 42
San Diego 42
Beijing 40
Jakarta 38
Lachine 36
Guangzhou 34
Romola 32
Nanchang 29
Toronto 28
Helsinki 27
Ottawa 26
Hefei 24
Brussels 23
Falls Church 23
London 23
Rome 23
Shenyang 22
Boardman 20
Seoul 20
Hebei 18
Munich 18
Andover 17
Jinan 17
Zhengzhou 17
Tianjin 15
Washington 15
Changsha 14
Chicago 14
Hangzhou 14
Naples 14
Nuremberg 14
Venice 14
Como 13
Hyderabad 13
Jiaxing 12
Marseille 12
Norwalk 12
Barcelona 11
Bergen 11
Desio 11
Mountain View 11
Ningbo 11
Paris 11
San Mateo 11
Sesto San Giovanni 11
The Dalles 11
Turku 10
Edmonton 9
Grafing 9
Bergamo 8
Nürnberg 8
Parma 8
Pune 8
Bologna 7
Carate Brianza 7
Napoli 7
Padova 7
Pantigliate 7
Phoenix 7
Santiago 7
Stockholm 7
Turin 7
Vimercate 7
Amsterdam 6
Bari 6
Fasano 6
Kiev 6
Lainate 6
Pioltello 6
Rio de Janeiro 6
São Paulo 6
Totale 9.356
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Nome #
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions 336
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 306
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 301
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 281
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 280
Interaction of the H-cluster of FeFe hydrogenase with halides 268
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 260
Towards hydrophobic carminic acid derivatives and their incorporation in polyacrylates 254
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 253
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 238
The Photochemistry of Fe2(S2C3H6)(CO)6(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT and TDDFT Investigation 236
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 226
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 224
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 218
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 212
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 208
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 208
DFT Dissection of the Reduction Step in H2 Catalytic Production by [FeFe]-Hydrogenase-Inspired Models: Can the Bridging Hydride Become More Reactive Than the Terminal Isomer? 205
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model 203
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 200
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 195
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 191
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 188
Computational study of the structure and catalytic mechanism of xylene monooxygenase from Pseudomonas putida 185
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 185
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 184
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 184
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 183
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 180
Mechanistic Insight into Electrocatalytic H2 Production by [Fe2(CN)μ-CN(Me)2(μ-CO)(CO)(Cp)2]: Effects of Dithiolate Replacement in [FeFe] Hydrogenase Models 178
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 176
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 175
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 172
Bromoperoxidase activity of amavadin dissected: a DFT investigation 172
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 171
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science 169
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides 169
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 165
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation 163
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures 162
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 161
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 160
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers 160
DFT/TDDFT Exploration of the Potential Energy Surfaces of the Ground State and Excited States of Fe2(S2C3H6)(CO)6: A Simple Functional Model of the [FeFe] Hydrogenase Active Site 159
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 159
Photoinhibition of FeFe hydrogenase 158
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 156
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 153
Electronic structure of the Co4Sn6Te6 ternary skutterudite phase 143
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 136
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 129
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents 129
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches 128
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 127
In-silico Modeling of [FeFe]-hydrogenase chemistry 126
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 126
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 124
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 123
Functional effects on the TDDFT investigations in organometallic photochemistry 122
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 121
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 120
Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene 116
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 116
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 116
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 111
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 106
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases 105
Interstitial Zn atoms do the trick in thermoelectric zinc antimonide, Zn4Sb3: A combined maximum entropy method X-ray electron density and Ab initio electronic structure study 104
Comparative analysis of Polyethylene-Degrading Laccases: Redox Properties and Enzyme-Polyethylene Interaction Mechanism 103
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions 99
Chemical information from the source function 97
Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be- 96
Cyanide ligands in [FeFe]-hydrogenases active site: dissecting their role in biological H2 evolution. 94
Nanostructured Co 1-xNi x(Sb 1-yTe y) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties 93
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3 91
Stability of few-body systems and quantum Monte-Carlo methods 91
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory 90
Guest-framework interaction in type I inorganic clathrates with promising thermoelectric properties: On the ionic versus neutral nature of the alkaline-earth metal guest A in A8Ga16Ge30 (A = Sr, Ba) 90
Multidentate surfactants for improving stability and biological properties 88
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems 88
Nanostructured Co1-xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling 88
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 87
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 86
Linear expansions of correlated functions: Variational Monte Carlo case study 82
Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium 78
Borromean binding in H2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study 77
Theoretical modeling of Te doped CoSb3 70
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation 59
A conserved acidic residue drives thyroxine synthesis within thyroglobulin and other protein precursors 15
Totale 13.920
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Categoria #
all - tutte 51.324
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 51.324
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/202042 0 0 0 0 0 0 0 0 0 0 0 42
2020/20211.762 102 49 126 154 251 133 103 162 122 237 95 228
2021/20221.170 97 161 103 80 58 96 87 81 63 69 91 184
2022/20231.950 221 533 229 178 122 286 45 91 128 34 62 21
2023/20241.367 54 32 72 97 167 294 266 53 91 51 22 168
2024/20253.324 171 332 239 215 297 146 170 167 378 525 327 357
Totale 13.920