Bicocca Open Archive

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BERTINI, LUCA
 Distribuzione geografica
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Continente #
NA - Nord America 5.755
EU - Europa 3.317
AS - Asia 848
OC - Oceania 8
SA - Sud America 8
AF - Africa 6
Continente sconosciuto - Info sul continente non disponibili 4
Totale 9.946
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Nazione #
US - Stati Uniti d'America 5.655
IT - Italia 849
DE - Germania 622
CN - Cina 439
SE - Svezia 405
IE - Irlanda 381
UA - Ucraina 225
GB - Regno Unito 170
PL - Polonia 168
AT - Austria 156
VN - Vietnam 149
HK - Hong Kong 146
FR - Francia 106
CA - Canada 100
FI - Finlandia 62
IN - India 54
DK - Danimarca 53
RU - Federazione Russa 38
BE - Belgio 24
TR - Turchia 24
NL - Olanda 22
ES - Italia 13
IR - Iran 10
JP - Giappone 9
NO - Norvegia 9
AU - Australia 6
BR - Brasile 6
IL - Israele 5
CH - Svizzera 3
CZ - Repubblica Ceca 3
EG - Egitto 3
KR - Corea 3
TW - Taiwan 3
EU - Europa 2
GR - Grecia 2
ID - Indonesia 2
NZ - Nuova Zelanda 2
RO - Romania 2
SC - Seychelles 2
SG - Singapore 2
A1 - Anonimo 1
A2 - ???statistics.table.value.countryCode.A2??? 1
AR - Argentina 1
BA - Bosnia-Erzegovina 1
BG - Bulgaria 1
CL - Cile 1
IQ - Iraq 1
LB - Libano 1
RS - Serbia 1
SK - Slovacchia (Repubblica Slovacca) 1
ZA - Sudafrica 1
Totale 9.946
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Città #
Ann Arbor 1.250
Woodbridge 511
Fairfield 500
Wilmington 436
Chandler 428
Frankfurt am Main 419
Dublin 368
Houston 351
Milan 333
Ashburn 295
Jacksonville 231
Dearborn 188
Seattle 185
Cambridge 169
Kraków 167
Vienna 153
Princeton 152
Hong Kong 146
New York 144
Nanjing 93
Dong Ket 92
Fremont 73
Shanghai 65
Altamura 63
Lawrence 63
San Diego 42
Lachine 36
Beijing 34
Guangzhou 30
Nanchang 29
Los Angeles 27
Toronto 25
Ottawa 24
Falls Church 23
Brussels 21
Helsinki 21
Shenyang 21
Boardman 20
Hebei 18
Andover 17
London 17
Jinan 16
Tianjin 15
Zhengzhou 15
Changsha 14
Hangzhou 14
Rome 14
Washington 13
Jiaxing 12
Norwalk 12
Mountain View 11
Ningbo 11
San Mateo 11
Sesto San Giovanni 11
Marseille 10
Como 9
Edmonton 9
Grafing 9
Paris 9
Bergamo 8
Bergen 8
Hefei 8
Nürnberg 8
Pune 8
Carate Brianza 7
Napoli 7
Pantigliate 7
Vimercate 7
Fasano 6
Kiev 6
Pioltello 6
Barcelona 5
Chicago 5
Desio 5
Huizen 5
Lainate 5
Laurel 5
Parma 5
Pavia 5
Philadelphia 5
Sacramento 5
Taizhou 5
Turin 5
Ardabil 4
Changchun 4
Düren 4
Kunming 4
Lanzhou 4
Leawood 4
Lomazzo 4
Naples 4
Phoenix 4
Vimodrone 4
Abbiategrasso 3
Bari 3
Bovisio-Masciago 3
Cantù 3
Cologno Monzese 3
Cosenza 3
Hounslow 3
Totale 7.702
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Nome #
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions 282
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 266
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 255
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 249
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 236
Interaction of the H-cluster of FeFe hydrogenase with halides 216
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 215
Towards hydrophobic carminic acid derivatives and their incorporation in polyacrylates 206
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 194
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 190
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 189
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 185
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 177
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 175
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? 175
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 169
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 169
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model 167
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 165
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 163
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 159
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 159
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 156
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 156
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 156
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 155
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 151
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 151
Bromoperoxidase activity of amavadin dissected: a DFT investigation 150
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science 149
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 149
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 148
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides 146
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 144
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation 143
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 140
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures 140
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers 137
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 136
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 135
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 131
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 129
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 128
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 124
Photoinhibition of FeFe hydrogenase 124
Electronic structure of the Co4Sn6Te6 ternary skutterudite phase 120
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 118
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 118
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 108
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents 106
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 104
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 100
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 95
Functional effects on the TDDFT investigations in organometallic photochemistry 95
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches 95
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 93
In-silico Modeling of [FeFe]-hydrogenase chemistry 92
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 91
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 84
Chemical information from the source function 72
Cyanide ligands in [FeFe]-hydrogenases active site: dissecting their role in biological H2 evolution. 71
Stability of few-body systems and quantum Monte-Carlo methods 70
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 69
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 67
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions 67
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases 67
Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be- 64
Nanostructured Co1-xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling 63
Nanostructured Co 1-xNi x(Sb 1-yTe y) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties 62
Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium 62
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3 60
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory 60
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems 60
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) 60
Borromean binding in H2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study 56
Linear expansions of correlated functions: Variational Monte Carlo case study 55
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 50
Theoretical modeling of Te doped CoSb3 46
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 41
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 40
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 39
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 34
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 8
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation 7
Totale 10.408
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Categoria #
all - tutte 31.109
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 31.109
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019350 0 0 0 0 0 0 0 0 0 0 153 197
2019/20201.677 191 85 91 118 156 190 275 125 136 157 111 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
2023/20241.179 54 32 72 97 167 294 266 53 91 51 2 0
Totale 10.408