Bicocca Open Archive

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GRECO, CLAUDIO
 Distribuzione geografica
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Continente #
NA - Nord America 10.028
EU - Europa 5.184
AS - Asia 1.572
SA - Sud America 19
AF - Africa 16
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 8
Totale 16.838
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Nazione #
US - Stati Uniti d'America 9.850
IT - Italia 1.249
DE - Germania 858
CN - Cina 772
SE - Svezia 633
IE - Irlanda 507
UA - Ucraina 475
RU - Federazione Russa 283
PL - Polonia 269
GB - Regno Unito 255
VN - Vietnam 251
HK - Hong Kong 242
CA - Canada 176
FR - Francia 170
SG - Singapore 158
AT - Austria 138
FI - Finlandia 105
DK - Danimarca 83
NL - Olanda 50
IN - India 43
TR - Turchia 42
BE - Belgio 39
ES - Italia 23
ID - Indonesia 20
CZ - Repubblica Ceca 17
BR - Brasile 13
CH - Svizzera 13
JP - Giappone 13
IR - Iran 10
AU - Australia 6
RO - Romania 6
EU - Europa 5
KR - Corea 5
SC - Seychelles 5
TW - Taiwan 5
A2 - ???statistics.table.value.countryCode.A2??? 4
EG - Egitto 4
NO - Norvegia 4
PK - Pakistan 4
AR - Argentina 3
CI - Costa d'Avorio 3
A1 - Anonimo 2
CL - Cile 2
GR - Grecia 2
IL - Israele 2
LB - Libano 2
MX - Messico 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
AE - Emirati Arabi Uniti 1
AZ - Azerbaigian 1
BA - Bosnia-Erzegovina 1
BG - Bulgaria 1
DZ - Algeria 1
HU - Ungheria 1
MA - Marocco 1
MN - Mongolia 1
PT - Portogallo 1
RS - Serbia 1
VE - Venezuela 1
Totale 16.838
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Città #
Ann Arbor 2.706
Woodbridge 906
Wilmington 851
Fairfield 845
Frankfurt am Main 647
Houston 541
Dublin 489
Jacksonville 489
Milan 477
Chandler 456
Ashburn 454
Dearborn 362
Seattle 344
Cambridge 269
Kraków 265
Hong Kong 242
Princeton 225
New York 194
Nanjing 161
Dong Ket 139
Vienna 138
Altamura 95
Shanghai 93
Singapore 93
Lawrence 84
Lachine 79
Beijing 73
Fremont 53
San Diego 53
Guangzhou 51
Nanchang 43
Hebei 40
Shenyang 39
Tianjin 38
Brussels 37
Boardman 35
Falls Church 32
London 32
Toronto 32
Andover 28
Jinan 25
Changsha 23
Jiaxing 23
Los Angeles 23
Norwalk 23
Edmonton 22
Ottawa 22
Kunming 21
Jakarta 20
Rome 20
Ningbo 19
Zhengzhou 19
Sacramento 18
Brno 17
Helsinki 17
Chicago 16
Montréal 16
Hangzhou 13
Monza 13
Como 12
Kiev 12
Sesto San Giovanni 12
San Mateo 11
Leawood 10
Brescia 9
Catania 9
Huizen 9
Marseille 9
Paris 9
Taizhou 9
Utrecht 9
Barcelona 8
Berlin 8
Monmouth Junction 8
Mountain View 8
Perugia 8
Philadelphia 8
Rozzano 8
Tappahannock 8
Busto Arsizio 7
Changchun 7
Fasano 7
Genoa 7
Lissone 7
Modena 7
Nürnberg 7
Phoenix 7
Poirino 7
Washington 7
Bologna 6
Campinas 6
College Station 6
Grafing 6
Paderno Dugnano 6
Pietrasanta 6
Redmond 6
Turin 6
Zurich 6
Asti 5
Cagliari 5
Totale 12.918
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Nome #
Role of the carbon defects in the catalytic oxygen reduction by graphite nanoparticles: a spectromagnetic, electrochemical and computational integrated approach 395
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 355
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 339
The large subunit of the regulatory [NiFe]-hydrogenase from Ralstonia eutropha – A minimal hydrogenase? 320
Experimental and Theoretical Investigation on the Catalytic Generation of Environmentally Persistent Free Radicals from Benzene 298
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 293
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 280
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 276
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 252
Dynamical behavior and conformational selection mechanism of the intrinsically disordered sic1 kinase-inhibitor domain 242
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 240
Interaction of the H-cluster of FeFe hydrogenase with halides 221
Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single-Center Aluminum(III) Catalyst and Quaternary Ammonium Salts 219
First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO2 to/from the C-Cluster 212
Theoretical and experimental investigation of UV–Vis absorption spectrum in a Eu(3+) based complex for luminescent downshifting applications 210
Influence of the [2Fe]H subcluster environment on the properties of key intermediates in the catalytic cycle of [FeFe] hydrogenases: Hints for the rational design of synthetic catalysts 205
Genetic analysis of polynucleotide phosphorylase structure and functions 202
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 202
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 201
Targeting amyloid aggregation: An overview of strategies and mechanisms 197
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 196
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 195
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 190
A conserved loop in polynucleotide phosphorylase (PNPase) essential for both RNA and ADP/phosphate binding 189
Organophosphorous ligands in hydrogenase-inspired iron-based catalysts: A DFT study on the energetics of metal protonation as a function of P-atom substitution 189
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 181
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 177
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 175
QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parameters 173
Mechanistic analysis of nucleophilic substrates oxidation by functional models of vanadium-dependent haloperoxidases: A density functional theory study 172
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 172
Fast generation of broken-symmetry states in a large system including multiple iron-sulfur assemblies: Investigation of QM/MM energies, clusters charges, and spin populations 169
Triiron clusters derived from dinuclear complexes related to the active site of [Fe-Fe] hydrogenases: Steric effect of the dithiolate bridge on redox properties, a DFT analysis 169
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 168
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 167
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 166
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems 166
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 165
A system-level analysis of regulation of hSos1, the major activator of the Ras oncoprotein 163
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 162
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 162
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 162
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 161
New fei-fei complex featuring a rotated conformation related to [2fe]h subsite of the [fe-fe] hydrogenase 160
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 159
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 157
Protonation and electrochemical properties of a bisphosphide diiron hexacarbonyl complex bearing amino groups on the phosphide bridge 157
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 155
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 153
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 153
Regulation of hSos1 activity is a system-level property generated by its multi-domain structure 152
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 148
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 148
A DFT and QM/MM Investigation on Models Related to the [FeFe]-Hydrogenase Active Site 146
Can water act as a nucleophile in CO oxidation catalysed by Mo/Cu CO‐dehydrogenase? Answers from theory 145
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 144
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 143
H2 binding and splitting on a new-generation [fefe]-hydrogenase model featuring a redox-active decamethylferrocenyl phosphine ligand: a theoretical investigation 140
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 139
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 138
Towards [NiFe]-hydrogenase biomimetic models that couple H2 binding with functionally relevant intramolecular electron transfers: a quantum chemical study 137
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations 137
Optical and Structural Properties of Copper−Oxytocin Dications in the Gas Phase 136
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 133
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 129
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation. 128
Synthesis and spectroscopic characterisation of a heterodinuclear iron(III)-copper(II) complex based on an asymmetric dinucleating ligand system 128
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 127
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 127
Identification and in silico analysis of a new group of double-histone fold-containing proteins 125
BLUF Hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study 125
New Systematic Route to Mixed-Valence Triiron Clusters Derived from Dinuclear Models of the Active Site of [Fe–Fe]-Hydrogenases 124
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 122
A Theoretical Study on the Enhancement of Functionally Relevant Electron Transfers in Biomimetic Models of [FeFe]-Hydrogenases 121
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 120
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 119
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 117
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 116
Probing the Effects of One-Electron Reduction and Protonation on the Electronic Properties of the Fe-S Clusters in the Active-Ready Form of [FeFe]-Hydrogenases. A QM/MM Investigation 116
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 115
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 114
Quantum refinement of [FeFe]-hydrogenase indicates a dithiomethylamine ligand 112
The oxidative inactivation of FeFe hydrogenase reveals the plasticity of the H-cluster 111
Temperature Dependence of the Catalytic Two- versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex 110
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 108
Mechanism of Fe-only hydrogenases studied by QM/MMn methods 103
Electrocatalytic dihydrogen evolution mechanism of [Fe-2(CO)(4)(kappa(2)-Ph2PCH2CH2PPh2)(mu-S(CH2)(3)S)] and related models of the [FeFe]-hydrogenases active site: a DFT investigation 102
Influence of a large sigma-donor ligand on structural and catalytic properties of di-iron compounds related to the active site of Fe-hydrogenase - A DFT investigation 100
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 100
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 99
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 98
Functional effects on the TDDFT investigations in organometallic photochemistry 98
DFT Investigation of Models Related to the Active Siteof Hydrogenases 98
Redox and electronic properties of the entire iron-sulfur cluster chain in [FeFe]-hydrogenases: a QM/MM investigation 97
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 97
Covalent attachment of FeFe hydrogenases to graphite electrode and inhibition studies 97
Lewis Acid Trapping of an Elusive Copper–Tosylnitrene Intermediate Using Scandium Triflate 97
In-silico Modeling of [FeFe]-hydrogenase chemistry 95
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 94
Covalent attachment of FeFe hydrogenase to graphite electrode and inhibition studies 94
Totale 16.211
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Categoria #
all - tutte 50.772
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 50.772
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20202.773 0 230 210 242 295 374 491 202 275 190 198 66
2020/20213.187 160 79 234 286 224 291 317 304 275 363 212 442
2021/20221.905 215 250 245 170 104 147 102 84 102 66 145 275
2022/20232.627 336 705 302 245 197 394 35 121 144 29 80 39
2023/20241.757 57 62 88 126 251 375 340 88 127 32 35 176
2024/2025318 247 71 0 0 0 0 0 0 0 0 0 0
Totale 17.624