Bicocca Open Archive

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GRECO, CLAUDIO
 Distribuzione geografica
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Continente #
NA - Nord America 11.162
EU - Europa 6.483
AS - Asia 3.356
SA - Sud America 287
AF - Africa 39
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 9
Totale 21.347
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Nazione #
US - Stati Uniti d'America 10.968
IT - Italia 1.561
SG - Singapore 1.008
DE - Germania 964
RU - Federazione Russa 945
CN - Cina 918
HK - Hong Kong 869
SE - Svezia 648
IE - Irlanda 508
UA - Ucraina 494
PL - Polonia 282
GB - Regno Unito 281
VN - Vietnam 254
BR - Brasile 248
FR - Francia 218
CA - Canada 186
AT - Austria 153
FI - Finlandia 133
DK - Danimarca 84
ID - Indonesia 73
NL - Olanda 68
IN - India 63
TR - Turchia 46
BE - Belgio 39
KR - Corea 39
ES - Italia 33
CZ - Repubblica Ceca 21
JP - Giappone 15
AR - Argentina 14
CH - Svizzera 14
ZA - Sudafrica 14
IR - Iran 10
BD - Bangladesh 9
PK - Pakistan 9
AU - Australia 7
EG - Egitto 7
RO - Romania 6
TW - Taiwan 6
CO - Colombia 5
EU - Europa 5
GR - Grecia 5
MX - Messico 5
NO - Norvegia 5
SC - Seychelles 5
UZ - Uzbekistan 5
VE - Venezuela 5
A2 - ???statistics.table.value.countryCode.A2??? 4
CL - Cile 4
EC - Ecuador 4
IL - Israele 4
IQ - Iraq 4
PT - Portogallo 4
PY - Paraguay 4
AE - Emirati Arabi Uniti 3
AZ - Azerbaigian 3
BG - Bulgaria 3
CI - Costa d'Avorio 3
LT - Lituania 3
MA - Marocco 3
A1 - Anonimo 2
AL - Albania 2
BH - Bahrain 2
KE - Kenya 2
KZ - Kazakistan 2
LB - Libano 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
OM - Oman 2
PE - Perù 2
PH - Filippine 2
TN - Tunisia 2
AM - Armenia 1
BA - Bosnia-Erzegovina 1
BO - Bolivia 1
CR - Costa Rica 1
CY - Cipro 1
DZ - Algeria 1
EE - Estonia 1
GE - Georgia 1
HN - Honduras 1
HU - Ungheria 1
IS - Islanda 1
KG - Kirghizistan 1
LK - Sri Lanka 1
LU - Lussemburgo 1
LV - Lettonia 1
MD - Moldavia 1
MN - Mongolia 1
NI - Nicaragua 1
NP - Nepal 1
RS - Serbia 1
SA - Arabia Saudita 1
SK - Slovacchia (Repubblica Slovacca) 1
Totale 21.347
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Città #
Ann Arbor 2.706
Woodbridge 906
Hong Kong 869
Wilmington 851
Fairfield 845
Frankfurt am Main 663
Singapore 663
Milan 605
Houston 541
Ashburn 508
Dublin 490
Jacksonville 489
Chandler 456
Dearborn 362
Seattle 347
Santa Clara 300
Cambridge 269
Kraków 265
Princeton 225
New York 195
Nanjing 162
Vienna 144
Dong Ket 139
Altamura 95
Shanghai 94
Moscow 92
Beijing 88
Lawrence 84
Lachine 79
Jakarta 72
Guangzhou 60
Council Bluffs 57
Fremont 53
Romola 53
San Diego 53
Los Angeles 44
Nanchang 43
Hebei 40
Tianjin 40
Shenyang 39
London 38
Brussels 37
Boardman 35
Toronto 35
Seoul 34
Falls Church 32
Andover 28
Chicago 27
Hefei 25
Helsinki 25
Jinan 25
Rome 25
Zhengzhou 24
Changsha 23
Jiaxing 23
Munich 23
Norwalk 23
Edmonton 22
Kunming 22
Ottawa 22
The Dalles 20
Ningbo 19
Sacramento 18
São Paulo 18
Venice 18
Brno 17
Monza 17
Montréal 16
Como 15
Nuremberg 15
Turku 15
Dallas 14
Hyderabad 14
Hangzhou 13
Karlsruhe 12
Kiev 12
Paris 12
San Francisco 12
Sesto San Giovanni 12
Barcelona 11
Belo Horizonte 11
Campinas 11
San Mateo 11
Brooklyn 10
Düsseldorf 10
Leawood 10
Marseille 10
Philadelphia 10
Berlin 9
Brescia 9
Catania 9
Huizen 9
Lappeenranta 9
Modena 9
Naples 9
Taizhou 9
Turin 9
Utrecht 9
Bologna 8
Desio 8
Totale 15.123
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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 451
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 397
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 391
The large subunit of the regulatory [NiFe]-hydrogenase from Ralstonia eutropha – A minimal hydrogenase? 363
Experimental and Theoretical Investigation on the Catalytic Generation of Environmentally Persistent Free Radicals from Benzene 345
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 341
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 333
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 316
Dynamical behavior and conformational selection mechanism of the intrinsically disordered sic1 kinase-inhibitor domain 292
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 281
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 280
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 278
Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single-Center Aluminum(III) Catalyst and Quaternary Ammonium Salts 268
Interaction of the H-cluster of FeFe hydrogenase with halides 268
Theoretical and experimental investigation of UV–Vis absorption spectrum in a Eu(3+) based complex for luminescent downshifting applications 254
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 253
Targeting amyloid aggregation: An overview of strategies and mechanisms 244
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 241
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 238
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 236
A conserved loop in polynucleotide phosphorylase (PNPase) essential for both RNA and ADP/phosphate binding 234
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 234
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 229
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems 227
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 224
Genetic analysis of polynucleotide phosphorylase structure and functions 223
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 223
QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parameters 222
Organophosphorous ligands in hydrogenase-inspired iron-based catalysts: A DFT study on the energetics of metal protonation as a function of P-atom substitution 218
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 209
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 208
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 208
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 205
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 201
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 197
Can water act as a nucleophile in CO oxidation catalysed by Mo/Cu CO‐dehydrogenase? Answers from theory 197
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 193
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 193
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 191
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 191
Mechanistic analysis of nucleophilic substrates oxidation by functional models of vanadium-dependent haloperoxidases: A density functional theory study 190
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 188
New fei-fei complex featuring a rotated conformation related to [2fe]h subsite of the [fe-fe] hydrogenase 186
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 185
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 185
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 184
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 184
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 183
A system-level analysis of regulation of hSos1, the major activator of the Ras oncoprotein 182
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 180
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations 180
Regulation of hSos1 activity is a system-level property generated by its multi-domain structure 179
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 178
A DFT and QM/MM Investigation on Models Related to the [FeFe]-Hydrogenase Active Site 175
Protonation and electrochemical properties of a bisphosphide diiron hexacarbonyl complex bearing amino groups on the phosphide bridge 173
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 170
H2 binding and splitting on a new-generation [fefe]-hydrogenase model featuring a redox-active decamethylferrocenyl phosphine ligand: a theoretical investigation 166
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 165
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 165
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 161
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 160
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 160
Towards [NiFe]-hydrogenase biomimetic models that couple H2 binding with functionally relevant intramolecular electron transfers: a quantum chemical study 160
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 159
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 159
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation. 156
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 156
Temperature Dependence of the Catalytic Two- versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex 156
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 153
Optical and Structural Properties of Copper−Oxytocin Dications in the Gas Phase 152
Computational study on the structural stability of mutated Affitins 150
Identification and in silico analysis of a new group of double-histone fold-containing proteins 148
Synthesis and spectroscopic characterisation of a heterodinuclear iron(III)-copper(II) complex based on an asymmetric dinucleating ligand system 148
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 148
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 147
New Systematic Route to Mixed-Valence Triiron Clusters Derived from Dinuclear Models of the Active Site of [Fe–Fe]-Hydrogenases 147
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 146
BLUF Hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study 144
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 142
A Theoretical Study on the Enhancement of Functionally Relevant Electron Transfers in Biomimetic Models of [FeFe]-Hydrogenases 142
Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations 141
Partition of the Reactive Species of the Suzuki-Miyaura Reaction between Aqueous and Micellar Environments 141
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 141
Quantum refinement of [FeFe]-hydrogenase indicates a dithiomethylamine ligand 140
Evaluation of docking procedures reliability in affitins-partners interactions 139
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 138
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 137
Calix[4]arene-Based Sensitizers for Host-Guest Supramolecular Dyads for Solar Energy Conversion in Photoelectrochemical Cells 136
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 135
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 133
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 133
The oxidative inactivation of FeFe hydrogenase reveals the plasticity of the H-cluster 132
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 129
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 127
Mechanism of Fe-only hydrogenases studied by QM/MMn methods 127
In-silico Modeling of [FeFe]-hydrogenase chemistry 126
Functional effects on the TDDFT investigations in organometallic photochemistry 122
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 121
Lewis Acid Trapping of an Elusive Copper–Tosylnitrene Intermediate Using Scandium Triflate 121
Author Correction: The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster (Nature Chemistry, (2014), 6, 4, (336-342), 10.1038/nchem.1892) 120
Totale 19.528
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Categoria #
all - tutte 73.293
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 73.293
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/202066 0 0 0 0 0 0 0 0 0 0 0 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
2024/20254.862 247 518 242 293 434 273 359 255 505 769 435 532
Totale 22.168