Bicocca Open Archive

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BERTINI, LUCA
 Distribuzione geografica
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Continente #
NA - Nord America 5.958
EU - Europa 3.575
AS - Asia 1.220
SA - Sud America 15
OC - Oceania 8
AF - Africa 6
Continente sconosciuto - Info sul continente non disponibili 4
Totale 10.786
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Nazione #
US - Stati Uniti d'America 5.857
IT - Italia 890
DE - Germania 623
CN - Cina 466
SE - Svezia 405
IE - Irlanda 381
SG - Singapore 327
UA - Ucraina 227
RU - Federazione Russa 211
GB - Regno Unito 172
PL - Polonia 170
AT - Austria 158
VN - Vietnam 149
HK - Hong Kong 146
FR - Francia 110
CA - Canada 101
FI - Finlandia 65
DK - Danimarca 56
IN - India 56
NL - Olanda 30
TR - Turchia 26
BE - Belgio 25
ES - Italia 19
ID - Indonesia 11
IR - Iran 10
JP - Giappone 9
NO - Norvegia 9
BR - Brasile 8
CZ - Repubblica Ceca 7
IL - Israele 7
AU - Australia 6
CL - Cile 6
CH - Svizzera 5
EG - Egitto 3
KR - Corea 3
PK - Pakistan 3
TW - Taiwan 3
BG - Bulgaria 2
EU - Europa 2
GR - Grecia 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
IQ - Iraq 1
LB - Libano 1
PT - Portogallo 1
RS - Serbia 1
SK - Slovacchia (Repubblica Slovacca) 1
ZA - Sudafrica 1
Totale 10.786
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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 348
Ashburn 297
Singapore 277
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
Shanghai 87
Fremont 73
Altamura 63
Lawrence 63
Santa Clara 53
San Diego 42
Lachine 36
Beijing 34
Guangzhou 30
Nanchang 29
Los Angeles 28
Toronto 26
Helsinki 24
Ottawa 24
Falls Church 23
Brussels 22
Shenyang 21
Boardman 20
Hebei 18
Andover 17
London 17
Jinan 16
Rome 15
Tianjin 15
Washington 15
Zhengzhou 15
Changsha 14
Hangzhou 14
Jiaxing 12
Norwalk 12
Mountain View 11
Ningbo 11
San Mateo 11
Sesto San Giovanni 11
Barcelona 10
Chicago 10
Como 10
Marseille 10
Edmonton 9
Grafing 9
Jakarta 9
Paris 9
Bergamo 8
Bergen 8
Hefei 8
Naples 8
Nürnberg 8
Pune 8
Carate Brianza 7
Napoli 7
Pantigliate 7
Vimercate 7
Amsterdam 6
Fasano 6
Kiev 6
Pioltello 6
Chengdu 5
Dallas 5
Desio 5
Huizen 5
Lainate 5
Laurel 5
Melzo 5
Parma 5
Pavia 5
Philadelphia 5
Sacramento 5
Santiago 5
Taizhou 5
Turin 5
Ardabil 4
Arkhangelsk 4
Brno 4
Changchun 4
Düren 4
Kunming 4
Lanzhou 4
Leawood 4
Totale 8.105
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Nome #
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions 295
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 279
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 267
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 264
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 242
Interaction of the H-cluster of FeFe hydrogenase with halides 235
Towards hydrophobic carminic acid derivatives and their incorporation in polyacrylates 221
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 220
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 219
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 205
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 203
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 195
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 191
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 191
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? 181
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 179
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 175
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model 172
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 171
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 169
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 169
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 167
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 167
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 166
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 164
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 160
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 160
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides 158
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 158
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 156
Bromoperoxidase activity of amavadin dissected: a DFT investigation 155
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 154
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science 152
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 149
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 149
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures 147
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation 147
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 146
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers 143
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 142
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 140
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 140
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 134
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 131
Photoinhibition of FeFe hydrogenase 129
Electronic structure of the Co4Sn6Te6 ternary skutterudite phase 125
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 125
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 123
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 112
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents 111
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 109
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 103
Functional effects on the TDDFT investigations in organometallic photochemistry 101
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches 101
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 100
In-silico Modeling of [FeFe]-hydrogenase chemistry 100
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 99
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 96
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 95
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 92
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 84
Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be- 79
Chemical information from the source function 77
Cyanide ligands in [FeFe]-hydrogenases active site: dissecting their role in biological H2 evolution. 76
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions 76
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory 76
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases 76
Nanostructured Co 1-xNi x(Sb 1-yTe y) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties 75
Stability of few-body systems and quantum Monte-Carlo methods 74
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) 74
Nanostructured Co1-xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling 72
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 71
Computational study of the structure and catalytic mechanism of xylene monooxygenase from Pseudomonas putida 71
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3 69
Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium 67
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems 64
Linear expansions of correlated functions: Variational Monte Carlo case study 64
Borromean binding in H2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study 61
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 59
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 54
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 53
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 52
Theoretical modeling of Te doped CoSb3 52
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 39
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation 15
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 14
Totale 11.293
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Categoria #
all - tutte 37.688
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 37.688
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.401 0 0 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
2023/20241.367 54 32 72 97 167 294 266 53 91 51 22 168
2024/2025697 171 332 194 0 0 0 0 0 0 0 0 0
Totale 11.293