Bicocca Open Archive

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BERTINI, LUCA
 Distribuzione geografica
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Continente #
NA - Nord America 11.637
AS - Asia 6.001
EU - Europa 5.782
SA - Sud America 893
Continente sconosciuto - Info sul continente non disponibili 538
AF - Africa 135
OC - Oceania 11
Totale 24.997
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Nazione #
US - Stati Uniti d'America 11.033
IT - Italia 1.894
SG - Singapore 1.874
CN - Cina 1.231
VN - Vietnam 1.125
DE - Germania 772
HK - Hong Kong 735
RU - Federazione Russa 694
BR - Brasile 661
CA - Canada 489
SE - Svezia 432
IE - Irlanda 383
GB - Regno Unito 288
UA - Ucraina 255
FR - Francia 253
IN - India 218
PL - Polonia 203
AT - Austria 173
BD - Bangladesh 155
FI - Finlandia 119
AR - Argentina 84
TR - Turchia 78
KR - Corea 77
IQ - Iraq 69
ID - Indonesia 67
ES - Italia 62
DK - Danimarca 61
NL - Olanda 61
JP - Giappone 46
ZA - Sudafrica 46
PK - Pakistan 43
MX - Messico 42
PH - Filippine 36
SA - Arabia Saudita 36
CO - Colombia 34
EC - Ecuador 32
BE - Belgio 27
UZ - Uzbekistan 27
MY - Malesia 25
VE - Venezuela 25
CH - Svizzera 22
CL - Cile 19
PY - Paraguay 19
TN - Tunisia 19
MA - Marocco 17
NP - Nepal 17
AE - Emirati Arabi Uniti 16
CR - Costa Rica 15
IL - Israele 14
JM - Giamaica 14
JO - Giordania 14
TH - Thailandia 14
KE - Kenya 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
PT - Portogallo 9
AZ - Azerbaigian 8
CZ - Repubblica Ceca 8
ET - Etiopia 7
HN - Honduras 7
KZ - Kazakistan 7
LB - Libano 7
NI - Nicaragua 7
BH - Bahrain 6
BO - Bolivia 6
PE - Perù 6
RO - Romania 6
RS - Serbia 6
TT - Trinidad e Tobago 6
EE - Estonia 5
GT - Guatemala 5
NG - Nigeria 5
PA - Panama 5
SY - Repubblica araba siriana 5
UY - Uruguay 5
DO - Repubblica Dominicana 4
DZ - Algeria 4
SN - Senegal 4
SV - El Salvador 4
AL - Albania 3
AM - Armenia 3
BG - Bulgaria 3
KH - Cambogia 3
LY - Libia 3
PS - Palestinian Territory 3
BA - Bosnia-Erzegovina 2
BS - Bahamas 2
BY - Bielorussia 2
EU - Europa 2
KW - Kuwait 2
MM - Myanmar 2
NZ - Nuova Zelanda 2
SC - Seychelles 2
A1 - Anonimo 1
Totale 24.438
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Città #
Ann Arbor 1.251
Singapore 1.140
Ashburn 1.136
San Jose 781
Hong Kong 716
Milan 687
Woodbridge 511
Fairfield 501
Frankfurt am Main 448
Wilmington 438
Chandler 428
Houston 377
Dublin 370
Toronto 343
Ho Chi Minh City 291
Dallas 272
Santa Clara 268
Los Angeles 240
Jacksonville 237
Hanoi 232
New York 223
Council Bluffs 207
Seattle 200
Dearborn 188
Cambridge 169
Kraków 167
Vienna 163
Chicago 162
Beijing 153
Princeton 152
The Dalles 132
Hefei 109
Shanghai 98
Nanjing 93
Dong Ket 92
Columbus 87
Moscow 84
Rome 81
Fremont 73
Lauterbourg 73
Seoul 71
Buffalo 66
Boardman 64
Altamura 63
Lawrence 63
Phoenix 57
Helsinki 54
São Paulo 49
San Diego 45
Orem 44
Guangzhou 42
Jakarta 42
Da Nang 39
London 38
Lachine 36
Munich 36
Baghdad 34
Kent 34
Romola 32
Turin 32
Haiphong 30
Nanchang 29
Washington 29
Atlanta 28
Montreal 28
Tokyo 28
Warsaw 28
Chennai 26
Denver 26
Ottawa 26
Shenyang 26
Brooklyn 25
Changsha 24
Falls Church 24
Hải Dương 24
Brussels 23
Naples 23
Tashkent 23
Desio 22
Brasília 21
Nuremberg 21
Jinan 20
Johannesburg 20
Rio de Janeiro 20
Zhengzhou 20
Boston 19
Hyderabad 19
Tianjin 19
Dhaka 18
Hebei 18
Marseille 18
Miami 18
San Francisco 18
Andover 17
Stockholm 17
Ninh Bình 16
Paris 16
Salt Lake City 16
Sesto San Giovanni 16
Turku 16
Totale 15.189
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Nome #
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 745
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 490
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions 455
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 445
Comparative analysis of Polyethylene-Degrading Laccases: Redox Properties and Enzyme-Polyethylene Interaction Mechanism. 440
Interaction of the H-cluster of FeFe hydrogenase with halides 420
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 417
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 403
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 394
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 391
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 390
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 382
Computational study of the structure and catalytic mechanism of xylene monooxygenase from Pseudomonas putida 378
Towards hydrophobic carminic acid derivatives and their incorporation in polyacrylates 373
Multidentate surfactants for improving stability and biological properties 372
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 365
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 364
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 362
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 353
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 325
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 322
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 322
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 318
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? 318
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 315
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 313
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 304
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 299
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 294
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 289
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 288
Photoinhibition of FeFe hydrogenase 288
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 287
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 283
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 280
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 278
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 277
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model 274
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 272
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 270
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 269
A conserved acidic residue drives thyroxine synthesis within thyroglobulin and other protein precursors 269
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 261
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 261
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 259
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 259
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 259
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science 258
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation 258
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 257
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures 257
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 255
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 255
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 252
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 252
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers 247
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases 246
Bromoperoxidase activity of amavadin dissected: a DFT investigation 245
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 244
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 242
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides 241
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 240
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches 234
In-silico Modeling of [FeFe]-hydrogenase chemistry 231
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 228
Electronic structure of the Co4Sn6Te6 ternary skutterudite phase 209
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 206
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents 205
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 202
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 198
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 193
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions 193
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation 192
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) 191
Functional effects on the TDDFT investigations in organometallic photochemistry 186
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3 182
Anomalous Water Fluorescence Induced by Solutes 179
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 177
Solvent-Driven Modulation of Shuttling Dynamics in an Autonomous Chemically Fueled Information Ratchet 176
Nanostructured Co 1-xNi x(Sb 1-yTe y) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties 169
Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be- 168
Chemical information from the source function 158
Cyanide ligands in [FeFe]-hydrogenases active site: dissecting their role in biological H2 evolution. 155
Stability of few-body systems and quantum Monte-Carlo methods 155
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems 153
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory 146
Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium 144
Nanostructured Co1-xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling 143
Linear expansions of correlated functions: Variational Monte Carlo case study 141
Theoretical modeling of Te doped CoSb3 140
Borromean binding in H2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study 124
QM/MM Modeling of the Electronic Structure and Properties of the Fe-S Clusters in Desulfovibrio desulfuricans [FeFe]-Hydrogenase 78
Totale 24.997
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Categoria #
all - tutte 80.018
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 80.018
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/2022809 0 0 0 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
2025/20268.906 1.177 519 659 850 934 421 1.274 443 721 736 588 584
2026/20272.004 252 406 815 531 0 0 0 0 0 0 0 0
Totale 24.997