Bicocca Open Archive

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GRECO, CLAUDIO
 Distribuzione geografica
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Continente #
NA - Nord America 10.003
EU - Europa 4.883
AS - Asia 1.363
AF - Africa 16
SA - Sud America 13
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 8
Totale 16.297
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Nazione #
US - Stati Uniti d'America 9.825
IT - Italia 1.207
DE - Germania 847
CN - Cina 744
SE - Svezia 633
IE - Irlanda 507
UA - Ucraina 475
PL - Polonia 269
GB - Regno Unito 255
VN - Vietnam 251
HK - Hong Kong 242
CA - Canada 176
FR - Francia 168
AT - Austria 138
FI - Finlandia 103
DK - Danimarca 83
RU - Federazione Russa 56
NL - Olanda 50
IN - India 43
TR - Turchia 42
BE - Belgio 39
ES - Italia 23
JP - Giappone 13
CH - Svizzera 11
IR - Iran 10
BR - Brasile 7
AU - Australia 6
RO - Romania 6
EU - Europa 5
SC - Seychelles 5
A2 - ???statistics.table.value.countryCode.A2??? 4
EG - Egitto 4
NO - Norvegia 4
TW - Taiwan 4
AR - Argentina 3
CI - Costa d'Avorio 3
KR - Corea 3
PK - Pakistan 3
A1 - Anonimo 2
CL - Cile 2
CZ - Repubblica Ceca 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
ID - Indonesia 1
MA - Marocco 1
MN - Mongolia 1
PT - Portogallo 1
RS - Serbia 1
VE - Venezuela 1
Totale 16.297
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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 464
Chandler 456
Ashburn 452
Dearborn 362
Seattle 344
Cambridge 269
Kraków 265
Hong Kong 242
Princeton 225
New York 194
Nanjing 160
Dong Ket 139
Vienna 138
Altamura 95
Lawrence 84
Lachine 79
Beijing 73
Shanghai 70
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
Norwalk 23
Edmonton 22
Ottawa 22
Kunming 21
Rome 20
Ningbo 19
Zhengzhou 19
Sacramento 18
Helsinki 16
Montréal 16
Los Angeles 15
Hangzhou 13
Monza 13
Kiev 12
Sesto San Giovanni 12
San Mateo 11
Chicago 10
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
Como 7
Fasano 7
Genoa 7
Modena 7
Nürnberg 7
Poirino 7
Bologna 6
College Station 6
Grafing 6
Lissone 6
Paderno Dugnano 6
Pietrasanta 6
Redmond 6
Washington 6
Zurich 6
Asti 5
Cagliari 5
Chivasso 5
Hefei 5
Mahé 5
Oxford 5
Pune 5
San Francisco 5
Totale 12.738
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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 388
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 351
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 331
The large subunit of the regulatory [NiFe]-hydrogenase from Ralstonia eutropha – A minimal hydrogenase? 315
Experimental and Theoretical Investigation on the Catalytic Generation of Environmentally Persistent Free Radicals from Benzene 292
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 288
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 277
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 268
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 249
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 236
Dynamical behavior and conformational selection mechanism of the intrinsically disordered sic1 kinase-inhibitor domain 236
Interaction of the H-cluster of FeFe hydrogenase with halides 216
Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single-Center Aluminum(III) Catalyst and Quaternary Ammonium Salts 215
Theoretical and experimental investigation of UV–Vis absorption spectrum in a Eu(3+) based complex for luminescent downshifting applications 207
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 206
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 200
Genetic analysis of polynucleotide phosphorylase structure and functions 198
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 197
Targeting amyloid aggregation: An overview of strategies and mechanisms 194
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 193
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 191
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 190
Organophosphorous ligands in hydrogenase-inspired iron-based catalysts: A DFT study on the energetics of metal protonation as a function of P-atom substitution 187
A conserved loop in polynucleotide phosphorylase (PNPase) essential for both RNA and ADP/phosphate binding 185
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 185
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 178
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 175
QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parameters 170
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 169
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 168
Mechanistic analysis of nucleophilic substrates oxidation by functional models of vanadium-dependent haloperoxidases: A density functional theory study 167
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 166
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 166
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 165
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 163
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 160
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 159
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 159
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 159
A system-level analysis of regulation of hSos1, the major activator of the Ras oncoprotein 158
New fei-fei complex featuring a rotated conformation related to [2fe]h subsite of the [fe-fe] hydrogenase 157
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems 157
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 156
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 155
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 155
Protonation and electrochemical properties of a bisphosphide diiron hexacarbonyl complex bearing amino groups on the phosphide bridge 155
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 154
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 151
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 150
Regulation of hSos1 activity is a system-level property generated by its multi-domain structure 150
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 148
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 146
Can water act as a nucleophile in CO oxidation catalysed by Mo/Cu CO‐dehydrogenase? Answers from theory 142
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 140
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 140
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 139
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 136
Towards [NiFe]-hydrogenase biomimetic models that couple H2 binding with functionally relevant intramolecular electron transfers: a quantum chemical study 136
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 135
A DFT and QM/MM Investigation on Models Related to the [FeFe]-Hydrogenase Active Site 135
H2 binding and splitting on a new-generation [fefe]-hydrogenase model featuring a redox-active decamethylferrocenyl phosphine ligand: a theoretical investigation 134
Optical and Structural Properties of Copper−Oxytocin Dications in the Gas Phase 132
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations 131
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 129
Synthesis and spectroscopic characterisation of a heterodinuclear iron(III)-copper(II) complex based on an asymmetric dinucleating ligand system 126
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 125
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 125
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation. 124
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 124
BLUF Hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study 121
New Systematic Route to Mixed-Valence Triiron Clusters Derived from Dinuclear Models of the Active Site of [Fe–Fe]-Hydrogenases 121
Identification and in silico analysis of a new group of double-histone fold-containing proteins 120
A Theoretical Study on the Enhancement of Functionally Relevant Electron Transfers in Biomimetic Models of [FeFe]-Hydrogenases 119
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 118
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 118
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 117
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 114
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 112
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 112
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 111
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 110
The oxidative inactivation of FeFe hydrogenase reveals the plasticity of the H-cluster 108
Temperature Dependence of the Catalytic Two- versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex 107
Quantum refinement of [FeFe]-hydrogenase indicates a dithiomethylamine ligand 106
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 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 99
Mechanism of Fe-only hydrogenases studied by QM/MMn methods 98
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 97
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 96
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 95
Covalent attachment of FeFe hydrogenases to graphite electrode and inhibition studies 95
Lewis Acid Trapping of an Elusive Copper–Tosylnitrene Intermediate Using Scandium Triflate 95
Functional effects on the TDDFT investigations in organometallic photochemistry 94
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 93
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 93
In-silico Modeling of [FeFe]-hydrogenase chemistry 92
DFT Investigation of Models Related to the Active Siteof Hydrogenases 92
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 92
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 91
Covalent attachment of FeFe hydrogenase to graphite electrode and inhibition studies 91
Totale 15.794
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Categoria #
all - tutte 44.128
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 44.128
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019726 0 0 0 0 0 0 0 0 0 155 247 324
2019/20203.132 359 230 210 242 295 374 491 202 275 190 198 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
2023/20241.519 57 62 88 126 251 375 340 88 127 5 0 0
Totale 17.068