Bicocca Open Archive

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BERTINI, LUCA
 Distribuzione geografica
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Continente #
NA - Nord America 9.250
AS - Asia 5.873
EU - Europa 5.215
SA - Sud America 862
AF - Africa 134
OC - Oceania 11
Continente sconosciuto - Info sul continente non disponibili 4
Totale 21.349
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Nazione #
US - Stati Uniti d'America 9.027
SG - Singapore 1.870
IT - Italia 1.381
CN - Cina 1.214
VN - Vietnam 1.115
DE - Germania 756
HK - Hong Kong 734
RU - Federazione Russa 694
BR - Brasile 644
SE - Svezia 432
IE - Irlanda 383
GB - Regno Unito 272
UA - Ucraina 254
FR - Francia 245
IN - India 214
PL - Polonia 202
AT - Austria 173
CA - Canada 155
FI - Finlandia 119
BD - Bangladesh 85
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 20
CL - Cile 19
MY - Malesia 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
KH - Cambogia 3
LY - Libia 3
PS - Palestinian Territory 3
BA - Bosnia-Erzegovina 2
BY - Bielorussia 2
EU - Europa 2
HN - Honduras 2
KW - Kuwait 2
MM - Myanmar 2
NZ - Nuova Zelanda 2
SC - Seychelles 2
SV - El Salvador 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 21.333
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Città #
Ann Arbor 1.250
Singapore 1.139
Ashburn 827
Hong Kong 715
San Jose 575
Milan 516
Woodbridge 511
Fairfield 501
Frankfurt am Main 448
Wilmington 437
Chandler 428
Dublin 370
Houston 364
Ho Chi Minh City 291
Dallas 263
Jacksonville 232
Santa Clara 230
Hanoi 227
New York 205
Los Angeles 197
Seattle 189
Dearborn 188
Cambridge 169
Kraków 167
Vienna 163
Beijing 152
Princeton 152
Chicago 151
The Dalles 130
Hefei 109
Shanghai 98
Nanjing 93
Dong Ket 92
Moscow 84
Fremont 73
Lauterbourg 73
Seoul 71
Council Bluffs 64
Altamura 63
Lawrence 63
Buffalo 61
Helsinki 54
São Paulo 46
Orem 43
Guangzhou 42
Jakarta 42
San Diego 42
Da Nang 38
London 37
Toronto 37
Lachine 36
Munich 36
Baghdad 34
Kent 34
Romola 32
Haiphong 30
Rome 30
Nanchang 29
Warsaw 28
Chennai 26
Ottawa 26
Shenyang 26
Tokyo 26
Denver 24
Falls Church 24
Hải Dương 24
Montreal 24
Brussels 23
Changsha 23
Tashkent 23
Boardman 22
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
Boston 16
Ninh Bình 16
Turku 16
Washington 16
Brasília 15
Hangzhou 15
Lahore 15
Manchester 15
Paris 15
San Francisco 15
Brooklyn 14
Naples 14
Sesto San Giovanni 14
Totale 13.592
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Nome #
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 687
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 444
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions 426
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 390
Interaction of the H-cluster of FeFe hydrogenase with halides 387
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 372
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 368
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 364
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 361
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 355
Towards hydrophobic carminic acid derivatives and their incorporation in polyacrylates 349
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 347
Computational study of the structure and catalytic mechanism of xylene monooxygenase from Pseudomonas putida 342
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 339
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 334
Comparative analysis of Polyethylene-Degrading Laccases: Redox Properties and Enzyme-Polyethylene Interaction Mechanism. 325
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 312
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 305
Multidentate surfactants for improving stability and biological properties 300
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 296
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 293
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 290
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 280
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 270
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? 267
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 267
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 265
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 262
Photoinhibition of FeFe hydrogenase 262
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 255
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 255
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 255
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 255
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 254
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 253
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 253
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model 252
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 247
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 246
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 245
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 231
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 231
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 230
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science 229
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 229
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 229
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 228
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 228
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures 228
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation 228
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 227
Bromoperoxidase activity of amavadin dissected: a DFT investigation 221
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 220
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers 219
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 215
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 215
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 215
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides 210
In-silico Modeling of [FeFe]-hydrogenase chemistry 207
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches 207
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 205
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases 204
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 203
A conserved acidic residue drives thyroxine synthesis within thyroglobulin and other protein precursors 203
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 196
Electronic structure of the Co4Sn6Te6 ternary skutterudite phase 192
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents 182
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 182
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 179
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 166
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 164
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions 164
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 160
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) 159
Functional effects on the TDDFT investigations in organometallic photochemistry 155
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3 151
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation 151
Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be- 145
Chemical information from the source function 143
Nanostructured Co 1-xNi x(Sb 1-yTe y) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties 142
Stability of few-body systems and quantum Monte-Carlo methods 139
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems 133
Cyanide ligands in [FeFe]-hydrogenases active site: dissecting their role in biological H2 evolution. 131
Linear expansions of correlated functions: Variational Monte Carlo case study 126
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory 123
Nanostructured Co1-xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling 123
Solvent-Driven Modulation of Shuttling Dynamics in an Autonomous Chemically Fueled Information Ratchet 120
Theoretical modeling of Te doped CoSb3 120
Anomalous Water Fluorescence Induced by Solutes 117
Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium 116
Borromean binding in H2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study 110
Totale 21.880
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Categoria #
all - tutte 69.038
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 69.038
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021323 0 0 0 0 0 0 0 0 0 0 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
2024/20253.491 171 332 239 215 297 146 170 167 378 525 327 524
2025/20267.793 1.177 519 659 850 934 421 1.274 443 721 736 59 0
Totale 21.880