Bicocca Open Archive

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BERTINI, LUCA
 Distribuzione geografica
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Continente #
NA - Nord America 8.059
EU - Europa 4.865
AS - Asia 4.349
SA - Sud America 702
AF - Africa 70
OC - Oceania 10
Continente sconosciuto - Info sul continente non disponibili 4
Totale 18.059
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Nazione #
US - Stati Uniti d'America 7.878
SG - Singapore 1.477
IT - Italia 1.270
CN - Cina 1.049
DE - Germania 736
VN - Vietnam 695
RU - Federazione Russa 685
HK - Hong Kong 625
BR - Brasile 561
SE - Svezia 430
IE - Irlanda 381
UA - Ucraina 247
GB - Regno Unito 245
PL - Polonia 199
AT - Austria 171
FR - Francia 151
CA - Canada 135
IN - India 123
FI - Finlandia 103
AR - Argentina 59
DK - Danimarca 58
KR - Corea 55
ID - Indonesia 54
NL - Olanda 51
ES - Italia 46
TR - Turchia 46
BD - Bangladesh 39
MX - Messico 34
JP - Giappone 33
ZA - Sudafrica 32
IQ - Iraq 27
BE - Belgio 26
EC - Ecuador 25
CL - Cile 15
PK - Pakistan 14
PY - Paraguay 14
SA - Arabia Saudita 13
UZ - Uzbekistan 13
NO - Norvegia 12
IL - Israele 11
IR - Iran 11
CO - Colombia 9
JO - Giordania 9
KE - Kenya 9
LT - Lituania 9
TN - Tunisia 9
AE - Emirati Arabi Uniti 8
AU - Australia 8
GR - Grecia 8
VE - Venezuela 8
CH - Svizzera 7
CZ - Repubblica Ceca 7
EG - Egitto 7
MA - Marocco 7
NP - Nepal 6
PT - Portogallo 6
TH - Thailandia 6
TW - Taiwan 6
BH - Bahrain 5
PE - Perù 4
RO - Romania 4
UY - Uruguay 4
AM - Armenia 3
BG - Bulgaria 3
BO - Bolivia 3
CR - Costa Rica 3
KZ - Kazakistan 3
LB - Libano 3
OM - Oman 3
PH - Filippine 3
BA - Bosnia-Erzegovina 2
DO - Repubblica Dominicana 2
EU - Europa 2
HN - Honduras 2
JM - Giamaica 2
MY - Malesia 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
SC - Seychelles 2
A1 - Anonimo 1
A2 - ???statistics.table.value.countryCode.A2??? 1
AL - Albania 1
AZ - Azerbaigian 1
BY - Bielorussia 1
EE - Estonia 1
ET - Etiopia 1
GT - Guatemala 1
IS - Islanda 1
KH - Cambogia 1
KW - Kuwait 1
LA - Repubblica Popolare Democratica del Laos 1
LY - Libia 1
MD - Moldavia 1
MK - Macedonia 1
MN - Mongolia 1
PA - Panama 1
PS - Palestinian Territory 1
RS - Serbia 1
SK - Slovacchia (Repubblica Slovacca) 1
SV - El Salvador 1
Totale 18.058
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Città #
Ann Arbor 1.250
Singapore 916
Ashburn 702
Hong Kong 624
Woodbridge 511
Fairfield 501
Milan 488
Frankfurt am Main 438
Wilmington 437
Chandler 428
Dublin 368
Houston 361
Dallas 258
Jacksonville 231
Santa Clara 222
New York 195
Seattle 189
Dearborn 188
Ho Chi Minh City 186
Cambridge 169
Kraków 167
Los Angeles 162
Vienna 162
Princeton 152
Beijing 142
Hanoi 124
Hefei 109
Shanghai 95
Nanjing 93
Dong Ket 92
Moscow 84
Fremont 73
The Dalles 66
Altamura 63
Lawrence 63
Chicago 57
Seoul 52
Buffalo 48
Council Bluffs 48
San Diego 42
São Paulo 42
Jakarta 41
Helsinki 40
Guangzhou 39
Lachine 36
Munich 35
Kent 34
Toronto 33
London 32
Romola 32
Nanchang 29
Ottawa 26
Rome 26
Shenyang 26
Warsaw 26
Falls Church 24
Brussels 23
Tokyo 23
Changsha 22
Denver 21
Boardman 20
Jinan 20
Orem 20
Phoenix 20
Zhengzhou 20
Desio 18
Hebei 18
Andover 17
Nuremberg 17
Rio de Janeiro 17
Tianjin 16
Turin 16
Turku 16
Atlanta 15
Boston 15
Chennai 15
Haiphong 15
Montreal 15
Stockholm 15
Washington 15
Da Nang 14
Hangzhou 14
Marseille 14
Naples 14
San Jose 14
Venice 14
Baghdad 13
Brasília 13
Como 13
Ha Long 13
Hyderabad 13
Jiaxing 13
Paris 13
Barcelona 12
Brooklyn 12
Dhaka 12
Hải Dương 12
Johannesburg 12
Mexico City 12
Norwalk 12
Totale 11.765
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Nome #
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 608
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions 388
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 381
Interaction of the H-cluster of FeFe hydrogenase with halides 344
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 342
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 326
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 325
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 319
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 318
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 318
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 313
Towards hydrophobic carminic acid derivatives and their incorporation in polyacrylates 311
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 304
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 301
Computational study of the structure and catalytic mechanism of xylene monooxygenase from Pseudomonas putida 294
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 275
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 262
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 259
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 255
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 253
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? 247
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 244
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 239
Comparative analysis of Polyethylene-Degrading Laccases: Redox Properties and Enzyme-Polyethylene Interaction Mechanism. 238
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 234
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 234
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 233
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model 226
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 226
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 223
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 220
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 220
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 219
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 215
Photoinhibition of FeFe hydrogenase 215
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 209
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 207
Multidentate surfactants for improving stability and biological properties 204
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 202
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 202
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures 202
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 202
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science 200
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 199
Bromoperoxidase activity of amavadin dissected: a DFT investigation 199
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation 199
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 196
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 196
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides 193
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 191
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 189
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 189
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers 189
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 187
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 187
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 184
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 177
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 175
In-silico Modeling of [FeFe]-hydrogenase chemistry 174
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches 172
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases 171
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 170
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 169
Electronic structure of the Co4Sn6Te6 ternary skutterudite phase 168
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 157
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 157
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents 155
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 151
A conserved acidic residue drives thyroxine synthesis within thyroglobulin and other protein precursors 143
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 141
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) 135
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 134
Functional effects on the TDDFT investigations in organometallic photochemistry 133
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions 126
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3 125
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 123
Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be- 121
Chemical information from the source function 119
Cyanide ligands in [FeFe]-hydrogenases active site: dissecting their role in biological H2 evolution. 113
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation 112
Nanostructured Co 1-xNi x(Sb 1-yTe y) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties 110
Stability of few-body systems and quantum Monte-Carlo methods 110
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory 109
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems 107
Nanostructured Co1-xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling 102
Linear expansions of correlated functions: Variational Monte Carlo case study 101
Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium 96
Theoretical modeling of Te doped CoSb3 91
Borromean binding in H2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study 91
Anomalous Water Fluorescence Induced by Solutes 55
Solvent-Driven Modulation of Shuttling Dynamics in an Autonomous Chemically Fueled Information Ratchet 42
Totale 18.590
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Categoria #
all - tutte 62.932
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 62.932
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20211.080 0 0 0 0 0 133 103 162 122 237 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
2024/20253.491 171 332 239 215 297 146 170 167 378 525 327 524
2025/20264.503 1.177 519 659 850 934 364 0 0 0 0 0 0
Totale 18.590