Bicocca Open Archive

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BERTINI, LUCA
 Distribuzione geografica
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Continente #
NA - Nord America 6.192
EU - Europa 3.782
AS - Asia 1.323
SA - Sud America 16
OC - Oceania 8
AF - Africa 6
Continente sconosciuto - Info sul continente non disponibili 4
Totale 11.331
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Nazione #
US - Stati Uniti d'America 6.084
IT - Italia 997
DE - Germania 627
CN - Cina 503
SE - Svezia 407
SG - Singapore 389
IE - Irlanda 381
RU - Federazione Russa 279
UA - Ucraina 229
GB - Regno Unito 180
PL - Polonia 170
AT - Austria 162
VN - Vietnam 149
HK - Hong Kong 146
FR - Francia 111
CA - Canada 105
FI - Finlandia 67
DK - Danimarca 57
IN - India 56
NL - Olanda 30
BE - Belgio 26
TR - Turchia 26
ES - Italia 21
ID - Indonesia 13
NO - Norvegia 12
IR - Iran 10
JP - Giappone 10
BR - Brasile 8
CL - Cile 7
CZ - Repubblica Ceca 7
IL - Israele 7
AU - Australia 6
CH - Svizzera 5
PK - Pakistan 4
EG - Egitto 3
KR - Corea 3
TW - Taiwan 3
BG - Bulgaria 2
EU - Europa 2
GR - Grecia 2
LT - Lituania 2
MX - Messico 2
NZ - Nuova Zelanda 2
RO - Romania 2
SC - Seychelles 2
TH - Thailandia 2
A1 - Anonimo 1
A2 - ???statistics.table.value.countryCode.A2??? 1
AL - Albania 1
AR - Argentina 1
BA - Bosnia-Erzegovina 1
BY - Bielorussia 1
DO - Repubblica Dominicana 1
IQ - Iraq 1
LB - Libano 1
PT - Portogallo 1
RS - Serbia 1
SK - Slovacchia (Repubblica Slovacca) 1
ZA - Sudafrica 1
Totale 11.331
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Città #
Ann Arbor 1.250
Woodbridge 511
Fairfield 500
Wilmington 436
Chandler 428
Frankfurt am Main 420
Dublin 368
Milan 368
Houston 351
Singapore 339
Ashburn 309
Jacksonville 231
Dearborn 188
Seattle 185
Cambridge 169
Kraków 167
Vienna 157
Santa Clara 155
Princeton 152
Hong Kong 146
New York 144
Nanjing 93
Dong Ket 92
Shanghai 87
Fremont 73
Altamura 63
Lawrence 63
San Diego 42
Lachine 36
Beijing 34
Romola 32
Guangzhou 30
Nanchang 29
Los Angeles 28
Toronto 28
Ottawa 26
Helsinki 25
Brussels 23
Falls Church 23
Shenyang 22
Boardman 20
London 20
Hebei 18
Andover 17
Jinan 16
Zhengzhou 16
Rome 15
Tianjin 15
Washington 15
Changsha 14
Hangzhou 14
Venice 14
Como 13
Jiaxing 12
Norwalk 12
Bergen 11
Jakarta 11
Mountain View 11
Ningbo 11
San Mateo 11
Sesto San Giovanni 11
Barcelona 10
Chicago 10
Marseille 10
Paris 10
Edmonton 9
Grafing 9
Bergamo 8
Hefei 8
Naples 8
Nürnberg 8
Parma 8
Pune 8
Carate Brianza 7
Napoli 7
Padova 7
Pantigliate 7
Vimercate 7
Amsterdam 6
Bari 6
Fasano 6
Kiev 6
Pioltello 6
Chengdu 5
Cosenza 5
Dallas 5
Desio 5
Huizen 5
Lainate 5
Laurel 5
Melzo 5
Pavia 5
Philadelphia 5
Sacramento 5
Santiago 5
Taizhou 5
Turin 5
Ardabil 4
Arkhangelsk 4
Brno 4
Totale 8.373
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Nome #
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions 303
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 284
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 274
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 267
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 251
Interaction of the H-cluster of FeFe hydrogenase with halides 240
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 229
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 227
Towards hydrophobic carminic acid derivatives and their incorporation in polyacrylates 224
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 212
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 208
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 204
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 202
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 198
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? 186
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 185
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 180
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 178
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model 175
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 174
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 173
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 171
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 171
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 170
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 169
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 164
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 163
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 163
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 163
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides 161
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 160
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 159
Bromoperoxidase activity of amavadin dissected: a DFT investigation 158
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science 155
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 153
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures 150
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation 150
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 148
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 148
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers 146
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 145
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 143
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 141
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 139
Photoinhibition of FeFe hydrogenase 133
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 130
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 130
Electronic structure of the Co4Sn6Te6 ternary skutterudite phase 127
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 121
Computational study of the structure and catalytic mechanism of xylene monooxygenase from Pseudomonas putida 114
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents 114
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 112
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 107
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches 106
In-silico Modeling of [FeFe]-hydrogenase chemistry 105
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 104
Functional effects on the TDDFT investigations in organometallic photochemistry 104
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 104
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 100
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 100
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 98
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 87
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases 85
Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be- 82
Chemical information from the source function 81
Cyanide ligands in [FeFe]-hydrogenases active site: dissecting their role in biological H2 evolution. 80
Nanostructured Co 1-xNi x(Sb 1-yTe y) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties 80
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 79
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions 79
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory 79
Stability of few-body systems and quantum Monte-Carlo methods 78
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) 78
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3 76
Nanostructured Co1-xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling 74
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems 71
Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium 71
Linear expansions of correlated functions: Variational Monte Carlo case study 67
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 65
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 65
Borromean binding in H2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study 65
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 62
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 61
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 57
Theoretical modeling of Te doped CoSb3 56
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 48
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation 23
Multidentate surfactants for improving stability and biological properties 19
Totale 11.841
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Categoria #
all - tutte 41.222
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 41.222
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.192 0 0 0 0 156 190 275 125 136 157 111 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
2024/20251.245 171 332 239 215 288 0 0 0 0 0 0 0
Totale 11.841