Bicocca Open Archive

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BERTINI, LUCA
 Distribuzione geografica
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Continente #
NA - Nord America 9.971
AS - Asia 5.962
EU - Europa 5.639
SA - Sud America 867
AF - Africa 134
OC - Oceania 11
Continente sconosciuto - Info sul continente non disponibili 4
Totale 22.588
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Nazione #
US - Stati Uniti d'America 9.427
SG - Singapore 1.872
IT - Italia 1.794
CN - Cina 1.228
VN - Vietnam 1.122
DE - Germania 759
HK - Hong Kong 734
RU - Federazione Russa 694
BR - Brasile 647
CA - Canada 467
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
BD - Bangladesh 143
FI - Finlandia 119
AR - Argentina 84
KR - Corea 77
TR - Turchia 77
IQ - Iraq 69
ID - Indonesia 66
ES - Italia 62
DK - Danimarca 60
NL - Olanda 60
ZA - Sudafrica 46
JP - Giappone 45
PK - Pakistan 43
MX - Messico 42
SA - Arabia Saudita 34
PH - Filippine 32
EC - Ecuador 31
BE - Belgio 27
UZ - Uzbekistan 27
CO - Colombia 25
VE - Venezuela 24
MY - Malesia 23
CH - Svizzera 22
CL - Cile 19
PY - Paraguay 19
TN - Tunisia 19
MA - Marocco 17
NP - Nepal 16
AE - Emirati Arabi Uniti 14
IL - Israele 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
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
SV - El Salvador 4
AL - Albania 3
AM - Armenia 3
BG - Bulgaria 3
GT - Guatemala 3
HN - Honduras 3
KH - Cambogia 3
LY - Libia 3
PS - Palestinian Territory 3
BA - Bosnia-Erzegovina 2
BY - Bielorussia 2
EU - Europa 2
KW - Kuwait 2
MM - Myanmar 2
NI - Nicaragua 2
NZ - Nuova Zelanda 2
SC - Seychelles 2
A1 - Anonimo 1
A2 - ???statistics.table.value.countryCode.A2??? 1
BF - Burkina Faso 1
BN - Brunei Darussalam 1
Totale 22.568
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Città #
Ann Arbor 1.250
Singapore 1.139
Ashburn 869
Hong Kong 715
Milan 655
San Jose 621
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
Santa Clara 238
Jacksonville 232
Los Angeles 232
Hanoi 231
New York 218
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
Rome 75
Fremont 73
Lauterbourg 73
Seoul 71
Buffalo 64
Council Bluffs 64
Altamura 63
Lawrence 63
Boardman 62
Helsinki 54
São Paulo 47
Orem 43
Guangzhou 42
Jakarta 42
San Diego 42
Da Nang 38
London 37
Lachine 36
Munich 36
Baghdad 34
Kent 34
Columbus 33
Romola 32
Turin 32
Haiphong 30
Nanchang 29
Warsaw 28
Tokyo 27
Chennai 26
Montreal 26
Ottawa 26
Shenyang 26
Changsha 24
Denver 24
Falls Church 24
Hải Dương 24
Atlanta 23
Brussels 23
Tashkent 23
Desio 22
Naples 21
Jinan 20
Johannesburg 20
Phoenix 20
Zhengzhou 20
Nuremberg 19
Rio de Janeiro 19
Tianjin 19
Hebei 18
Hyderabad 18
Marseille 18
Andover 17
Boston 17
Brooklyn 17
Dhaka 17
Stockholm 17
Washington 17
Ninh Bình 16
Sesto San Giovanni 16
Turku 16
Zurich 16
Brasília 15
Hangzhou 15
Lahore 15
Manchester 15
Totale 14.329
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Nome #
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 706
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 464
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions 439
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 407
Interaction of the H-cluster of FeFe hydrogenase with halides 401
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 399
Comparative analysis of Polyethylene-Degrading Laccases: Redox Properties and Enzyme-Polyethylene Interaction Mechanism. 387
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 376
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 376
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 372
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 365
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 357
Computational study of the structure and catalytic mechanism of xylene monooxygenase from Pseudomonas putida 355
Towards hydrophobic carminic acid derivatives and their incorporation in polyacrylates 355
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 349
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 345
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 344
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 330
Multidentate surfactants for improving stability and biological properties 328
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 307
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 305
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 304
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? 298
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 291
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 283
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 281
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 276
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 273
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 272
Photoinhibition of FeFe hydrogenase 272
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 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 268
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 268
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 264
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 263
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 262
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 258
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 258
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model 255
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 253
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 253
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 246
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science 243
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 243
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 242
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 241
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 241
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 239
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures 239
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 238
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation 235
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 234
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 232
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers 231
A conserved acidic residue drives thyroxine synthesis within thyroglobulin and other protein precursors 231
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 229
Bromoperoxidase activity of amavadin dissected: a DFT investigation 228
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 227
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides 225
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 221
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases 219
In-silico Modeling of [FeFe]-hydrogenase chemistry 218
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches 217
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 215
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 206
Electronic structure of the Co4Sn6Te6 ternary skutterudite phase 199
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 191
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 190
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents 189
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions 182
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 181
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 172
Functional effects on the TDDFT investigations in organometallic photochemistry 169
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) 169
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 168
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3 162
Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be- 158
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation 158
Nanostructured Co 1-xNi x(Sb 1-yTe y) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties 151
Stability of few-body systems and quantum Monte-Carlo methods 148
Chemical information from the source function 146
Solvent-Driven Modulation of Shuttling Dynamics in an Autonomous Chemically Fueled Information Ratchet 144
Cyanide ligands in [FeFe]-hydrogenases active site: dissecting their role in biological H2 evolution. 144
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems 141
Anomalous Water Fluorescence Induced by Solutes 140
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory 134
Nanostructured Co1-xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling 132
Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium 130
Theoretical modeling of Te doped CoSb3 128
Linear expansions of correlated functions: Variational Monte Carlo case study 127
Borromean binding in H2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study 118
QM/MM Modeling of the Electronic Structure and Properties of the Fe-S Clusters in Desulfovibrio desulfuricans [FeFe]-Hydrogenase 21
Totale 23.122
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Categoria #
all - tutte 74.039
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 74.039
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
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
2025/20268.906 1.177 519 659 850 934 421 1.274 443 721 736 588 584
2026/2027129 129 0 0 0 0 0 0 0 0 0 0 0
Totale 23.122