Bicocca Open Archive

Logo unimib boa
GRECO, CLAUDIO
 Distribuzione geografica
Salva come PNG Salva come JPEG
Continente #
NA - Nord America 10.770
EU - Europa 5.537
AS - Asia 2.314
SA - Sud America 83
AF - Africa 16
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 9
Totale 18.740
Salva come PNG Salva come JPEG
Nazione #
US - Stati Uniti d'America 10.587
IT - Italia 1.425
DE - Germania 871
CN - Cina 862
SG - Singapore 647
SE - Svezia 637
IE - Irlanda 507
UA - Ucraina 478
RU - Federazione Russa 399
HK - Hong Kong 342
PL - Polonia 269
GB - Regno Unito 263
VN - Vietnam 251
CA - Canada 178
FR - Francia 175
AT - Austria 144
FI - Finlandia 115
DK - Danimarca 83
ID - Indonesia 72
BR - Brasile 70
NL - Olanda 57
IN - India 43
TR - Turchia 43
BE - Belgio 39
ES - Italia 25
CZ - Repubblica Ceca 17
CH - Svizzera 14
JP - Giappone 14
IR - Iran 10
AU - Australia 7
RO - Romania 6
AR - Argentina 5
EU - Europa 5
KR - Corea 5
NO - Norvegia 5
PK - Pakistan 5
SC - Seychelles 5
TW - Taiwan 5
A2 - ???statistics.table.value.countryCode.A2??? 4
EG - Egitto 4
MX - Messico 4
CI - Costa d'Avorio 3
A1 - Anonimo 2
AE - Emirati Arabi Uniti 2
CL - Cile 2
CO - Colombia 2
GR - Grecia 2
IL - Israele 2
KZ - Kazakistan 2
LB - Libano 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
VE - Venezuela 2
AZ - Azerbaigian 1
BA - Bosnia-Erzegovina 1
BG - Bulgaria 1
CY - Cipro 1
DZ - Algeria 1
HN - Honduras 1
HU - Ungheria 1
IQ - Iraq 1
LK - Sri Lanka 1
LT - Lituania 1
MA - Marocco 1
MN - Mongolia 1
PE - Perù 1
PH - Filippine 1
PT - Portogallo 1
PY - Paraguay 1
RS - Serbia 1
UZ - Uzbekistan 1
Totale 18.740
Salva come PNG Salva come JPEG
Città #
Ann Arbor 2.706
Woodbridge 906
Wilmington 851
Fairfield 845
Frankfurt am Main 648
Houston 541
Milan 531
Singapore 526
Dublin 489
Jacksonville 489
Ashburn 473
Chandler 456
Dearborn 362
Seattle 345
Hong Kong 342
Santa Clara 295
Cambridge 269
Kraków 265
Princeton 225
New York 194
Nanjing 162
Vienna 140
Dong Ket 139
Altamura 95
Shanghai 94
Lawrence 84
Lachine 79
Beijing 75
Jakarta 72
Guangzhou 54
Fremont 53
Romola 53
San Diego 53
Nanchang 43
Hebei 40
Shenyang 39
Tianjin 39
Brussels 37
Boardman 35
London 34
Toronto 34
Falls Church 32
Andover 28
Los Angeles 26
Helsinki 25
Jinan 25
Zhengzhou 24
Changsha 23
Jiaxing 23
Norwalk 23
Edmonton 22
Ottawa 22
Kunming 21
Rome 20
Ningbo 19
Sacramento 18
Venice 18
Brno 17
Chicago 17
Monza 17
Montréal 16
Como 15
Dallas 13
Hangzhou 13
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
Bari 7
Busto Arsizio 7
Campinas 7
Changchun 7
Fasano 7
Genoa 7
Lissone 7
Melzo 7
Modena 7
Munich 7
Nürnberg 7
Phoenix 7
Poirino 7
São Paulo 7
Turin 7
Washington 7
Bologna 6
Totale 13.979
Salva come PNG Salva come JPEG
Nome #
Role of the carbon defects in the catalytic oxygen reduction by graphite nanoparticles: a spectromagnetic, electrochemical and computational integrated approach 419
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 367
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 359
The large subunit of the regulatory [NiFe]-hydrogenase from Ralstonia eutropha – A minimal hydrogenase? 338
Experimental and Theoretical Investigation on the Catalytic Generation of Environmentally Persistent Free Radicals from Benzene 316
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 314
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 306
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 289
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 270
Dynamical behavior and conformational selection mechanism of the intrinsically disordered sic1 kinase-inhibitor domain 261
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 255
Interaction of the H-cluster of FeFe hydrogenase with halides 244
Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single-Center Aluminum(III) Catalyst and Quaternary Ammonium Salts 240
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 240
Theoretical and experimental investigation of UV–Vis absorption spectrum in a Eu(3+) based complex for luminescent downshifting applications 233
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 230
Targeting amyloid aggregation: An overview of strategies and mechanisms 219
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 216
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 215
A conserved loop in polynucleotide phosphorylase (PNPase) essential for both RNA and ADP/phosphate binding 211
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 210
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 209
Genetic analysis of polynucleotide phosphorylase structure and functions 208
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 204
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 203
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 200
Organophosphorous ligands in hydrogenase-inspired iron-based catalysts: A DFT study on the energetics of metal protonation as a function of P-atom substitution 200
QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parameters 199
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems 195
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 192
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 191
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 189
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 185
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 183
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 182
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 180
Mechanistic analysis of nucleophilic substrates oxidation by functional models of vanadium-dependent haloperoxidases: A density functional theory study 177
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 176
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 176
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 173
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 173
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 172
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 172
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 171
A system-level analysis of regulation of hSos1, the major activator of the Ras oncoprotein 169
New fei-fei complex featuring a rotated conformation related to [2fe]h subsite of the [fe-fe] hydrogenase 169
Can water act as a nucleophile in CO oxidation catalysed by Mo/Cu CO‐dehydrogenase? Answers from theory 169
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 168
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 168
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 164
Regulation of hSos1 activity is a system-level property generated by its multi-domain structure 164
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 163
Protonation and electrochemical properties of a bisphosphide diiron hexacarbonyl complex bearing amino groups on the phosphide bridge 163
A DFT and QM/MM Investigation on Models Related to the [FeFe]-Hydrogenase Active Site 162
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 159
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 155
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations 152
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 151
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 150
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 148
H2 binding and splitting on a new-generation [fefe]-hydrogenase model featuring a redox-active decamethylferrocenyl phosphine ligand: a theoretical investigation 148
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 146
Towards [NiFe]-hydrogenase biomimetic models that couple H2 binding with functionally relevant intramolecular electron transfers: a quantum chemical study 144
Optical and Structural Properties of Copper−Oxytocin Dications in the Gas Phase 143
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 142
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 142
Synthesis and spectroscopic characterisation of a heterodinuclear iron(III)-copper(II) complex based on an asymmetric dinucleating ligand system 137
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation. 135
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 135
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 135
Identification and in silico analysis of a new group of double-histone fold-containing proteins 134
BLUF Hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study 133
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 133
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 133
Temperature Dependence of the Catalytic Two- versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex 132
New Systematic Route to Mixed-Valence Triiron Clusters Derived from Dinuclear Models of the Active Site of [Fe–Fe]-Hydrogenases 132
Quantum refinement of [FeFe]-hydrogenase indicates a dithiomethylamine ligand 131
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 130
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 130
A Theoretical Study on the Enhancement of Functionally Relevant Electron Transfers in Biomimetic Models of [FeFe]-Hydrogenases 129
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 126
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 125
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 124
The oxidative inactivation of FeFe hydrogenase reveals the plasticity of the H-cluster 119
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 119
Computational study on the structural stability of mutated Affitins 119
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 118
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 114
Mechanism of Fe-only hydrogenases studied by QM/MMn methods 114
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 112
Partition of the Reactive Species of the Suzuki-Miyaura Reaction between Aqueous and Micellar Environments 111
Lewis Acid Trapping of an Elusive Copper–Tosylnitrene Intermediate Using Scandium Triflate 111
Functional effects on the TDDFT investigations in organometallic photochemistry 109
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 107
In-silico Modeling of [FeFe]-hydrogenase chemistry 107
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 106
Redox and electronic properties of the entire iron-sulfur cluster chain in [FeFe]-hydrogenases: a QM/MM investigation 106
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 106
Evaluation of docking procedures reliability in affitins-partners interactions 105
Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations 105
Totale 17.623
Salva come PNG Salva come JPEG
Categoria #
all - tutte 62.454
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 62.454
Salva come PNG Salva come JPEG


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.422 0 0 0 0 0 0 491 202 275 190 198 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
2024/20252.252 247 518 242 293 434 273 245 0 0 0 0 0
Totale 19.558