Bicocca Open Archive

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BERTINI, LUCA
 Distribuzione geografica
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Continente #
NA - Nord America 9.786
AS - Asia 5.913
EU - Europa 5.359
SA - Sud America 862
AF - Africa 134
OC - Oceania 11
Continente sconosciuto - Info sul continente non disponibili 4
Totale 22.069
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Nazione #
US - Stati Uniti d'America 9.253
SG - Singapore 1.871
IT - Italia 1.518
CN - Cina 1.218
VN - Vietnam 1.115
DE - Germania 759
HK - Hong Kong 734
RU - Federazione Russa 694
BR - Brasile 644
CA - Canada 462
SE - Svezia 432
IE - Irlanda 383
GB - Regno Unito 272
UA - Ucraina 254
FR - Francia 246
IN - India 214
PL - Polonia 203
AT - Austria 173
FI - Finlandia 119
BD - Bangladesh 118
AR - Argentina 84
KR - Corea 77
TR - Turchia 77
IQ - Iraq 69
ID - Indonesia 66
ES - Italia 61
DK - Danimarca 60
NL - Olanda 58
ZA - Sudafrica 46
JP - Giappone 44
PK - Pakistan 43
MX - Messico 42
SA - Arabia Saudita 34
PH - Filippine 32
EC - Ecuador 31
BE - Belgio 27
UZ - Uzbekistan 27
CO - Colombia 24
VE - Venezuela 23
CH - Svizzera 22
MY - Malesia 21
CL - Cile 19
PY - Paraguay 19
TN - Tunisia 19
MA - Marocco 17
NP - Nepal 16
IL - Israele 14
JO - Giordania 14
AE - Emirati Arabi Uniti 13
KE - Kenya 13
TH - Thailandia 13
NO - Norvegia 12
EG - Egitto 11
GR - Grecia 11
IR - Iran 11
OM - Oman 10
TW - Taiwan 10
AU - Australia 9
LT - Lituania 9
AZ - Azerbaigian 8
CZ - Repubblica Ceca 8
PT - Portogallo 8
ET - Etiopia 7
JM - Giamaica 7
KZ - Kazakistan 7
LB - Libano 7
BH - Bahrain 6
CR - Costa Rica 6
PE - Perù 6
RO - Romania 6
RS - Serbia 6
BO - Bolivia 5
NG - Nigeria 5
SY - Repubblica araba siriana 5
UY - Uruguay 5
DO - Repubblica Dominicana 4
DZ - Algeria 4
PA - Panama 4
SN - Senegal 4
AL - Albania 3
AM - Armenia 3
BG - Bulgaria 3
HN - Honduras 3
KH - Cambogia 3
LY - Libia 3
PS - Palestinian Territory 3
SV - El Salvador 3
BA - Bosnia-Erzegovina 2
BY - Bielorussia 2
EU - Europa 2
KW - Kuwait 2
MM - Myanmar 2
NZ - Nuova Zelanda 2
SC - Seychelles 2
A1 - Anonimo 1
A2 - ???statistics.table.value.countryCode.A2??? 1
BF - Burkina Faso 1
BT - Bhutan 1
EE - Estonia 1
GE - Georgia 1
Totale 22.052
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Città #
Ann Arbor 1.250
Singapore 1.139
Ashburn 846
Hong Kong 715
San Jose 610
Milan 525
Woodbridge 511
Fairfield 501
Frankfurt am Main 448
Wilmington 437
Chandler 428
Dublin 370
Houston 365
Toronto 340
Ho Chi Minh City 291
Dallas 264
Jacksonville 232
Los Angeles 230
Santa Clara 230
Hanoi 227
New York 215
Seattle 189
Dearborn 188
Cambridge 169
Kraków 167
Vienna 163
Beijing 153
Chicago 153
Princeton 152
The Dalles 131
Hefei 109
Shanghai 98
Nanjing 93
Dong Ket 92
Moscow 84
Fremont 73
Lauterbourg 73
Seoul 71
Buffalo 64
Council Bluffs 64
Altamura 63
Lawrence 63
Boardman 62
Helsinki 54
São Paulo 46
Orem 43
Guangzhou 42
Jakarta 42
San Diego 42
Da Nang 38
London 37
Lachine 36
Munich 36
Rome 35
Baghdad 34
Kent 34
Romola 32
Haiphong 30
Nanchang 29
Warsaw 28
Chennai 26
Montreal 26
Ottawa 26
Shenyang 26
Tokyo 26
Changsha 24
Denver 24
Falls Church 24
Hải Dương 24
Brussels 23
Tashkent 23
Desio 22
Atlanta 21
Jinan 20
Johannesburg 20
Phoenix 20
Zhengzhou 20
Nuremberg 19
Rio de Janeiro 19
Tianjin 19
Turin 19
Hebei 18
Hyderabad 18
Marseille 18
Andover 17
Dhaka 17
Stockholm 17
Washington 17
Boston 16
Naples 16
Ninh Bình 16
Turku 16
Zurich 16
Brasília 15
Brooklyn 15
Hangzhou 15
Lahore 15
Manchester 15
Paris 15
San Francisco 15
Totale 14.064
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Nome #
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 696
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 454
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions 430
Interaction of the H-cluster of FeFe hydrogenase with halides 398
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 397
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 383
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 374
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 373
Comparative analysis of Polyethylene-Degrading Laccases: Redox Properties and Enzyme-Polyethylene Interaction Mechanism. 370
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 365
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 364
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 353
Towards hydrophobic carminic acid derivatives and their incorporation in polyacrylates 353
Computational study of the structure and catalytic mechanism of xylene monooxygenase from Pseudomonas putida 348
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 343
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 342
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 323
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 318
Multidentate surfactants for improving stability and biological properties 313
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 305
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 304
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 293
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? 291
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 283
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 280
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 275
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 275
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 271
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 265
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 265
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 264
Photoinhibition of FeFe hydrogenase 264
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 263
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 260
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 257
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 255
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 254
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model 253
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 253
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 252
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 251
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 240
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science 237
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 237
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 237
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 236
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 236
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 235
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 233
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 233
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation 230
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures 229
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers 229
Bromoperoxidase activity of amavadin dissected: a DFT investigation 228
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 226
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 222
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 219
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides 218
In-silico Modeling of [FeFe]-hydrogenase chemistry 217
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches 216
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases 214
A conserved acidic residue drives thyroxine synthesis within thyroglobulin and other protein precursors 212
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 210
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 210
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 205
Electronic structure of the Co4Sn6Te6 ternary skutterudite phase 199
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 190
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 189
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents 187
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions 172
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 171
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 170
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 168
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) 168
Functional effects on the TDDFT investigations in organometallic photochemistry 163
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3 158
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation 157
Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be- 152
Nanostructured Co 1-xNi x(Sb 1-yTe y) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties 149
Stability of few-body systems and quantum Monte-Carlo methods 146
Chemical information from the source function 144
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems 140
Cyanide ligands in [FeFe]-hydrogenases active site: dissecting their role in biological H2 evolution. 139
Nanostructured Co1-xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling 131
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory 130
Solvent-Driven Modulation of Shuttling Dynamics in an Autonomous Chemically Fueled Information Ratchet 129
Linear expansions of correlated functions: Variational Monte Carlo case study 127
Anomalous Water Fluorescence Induced by Solutes 125
Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium 124
Theoretical modeling of Te doped CoSb3 122
Borromean binding in H2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study 111
Totale 22.600
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Categoria #
all - tutte 71.769
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 71.769
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021228 0 0 0 0 0 0 0 0 0 0 0 228
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
2024/20253.491 171 332 239 215 297 146 170 167 378 525 327 524
2025/20268.513 1.177 519 659 850 934 421 1.274 443 721 736 588 191
Totale 22.600