Bicocca Open Archive

Logo unimib boa
GRECO, CLAUDIO
 Distribuzione geografica
Salva come PNG Salva come JPEG
Continente #
NA - Nord America 11.038
EU - Europa 6.214
AS - Asia 2.752
SA - Sud America 279
AF - Africa 39
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 9
Totale 20.342
Salva come PNG Salva come JPEG
Nazione #
US - Stati Uniti d'America 10.853
IT - Italia 1.529
SG - Singapore 967
DE - Germania 930
CN - Cina 885
RU - Federazione Russa 813
SE - Svezia 646
IE - Irlanda 508
UA - Ucraina 494
HK - Hong Kong 386
PL - Polonia 271
GB - Regno Unito 269
VN - Vietnam 251
BR - Brasile 244
FR - Francia 193
CA - Canada 178
AT - Austria 153
FI - Finlandia 118
DK - Danimarca 84
ID - Indonesia 73
NL - Olanda 65
IN - India 60
TR - Turchia 45
BE - Belgio 39
ES - Italia 32
CZ - Repubblica Ceca 19
CH - Svizzera 14
JP - Giappone 14
ZA - Sudafrica 14
AR - Argentina 12
IR - Iran 10
BD - Bangladesh 8
PK - Pakistan 8
AU - Australia 7
EG - Egitto 7
RO - Romania 6
CO - Colombia 5
EU - Europa 5
GR - Grecia 5
KR - Corea 5
NO - Norvegia 5
SC - Seychelles 5
TW - Taiwan 5
UZ - Uzbekistan 5
VE - Venezuela 5
A2 - ???statistics.table.value.countryCode.A2??? 4
EC - Ecuador 4
MX - Messico 4
PT - Portogallo 4
PY - Paraguay 4
AE - Emirati Arabi Uniti 3
AZ - Azerbaigian 3
BG - Bulgaria 3
CI - Costa d'Avorio 3
IL - Israele 3
IQ - Iraq 3
LT - Lituania 3
MA - Marocco 3
A1 - Anonimo 2
AL - Albania 2
BH - Bahrain 2
CL - Cile 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 20.342
Salva come PNG Salva come JPEG
Città #
Ann Arbor 2.706
Woodbridge 906
Wilmington 851
Fairfield 845
Frankfurt am Main 651
Singapore 622
Milan 591
Houston 541
Ashburn 495
Dublin 490
Jacksonville 489
Chandler 456
Hong Kong 386
Dearborn 362
Seattle 345
Santa Clara 295
Cambridge 269
Kraków 265
Princeton 225
New York 194
Nanjing 162
Vienna 144
Dong Ket 139
Altamura 95
Shanghai 94
Lawrence 84
Lachine 79
Beijing 75
Jakarta 72
Guangzhou 60
Council Bluffs 57
Fremont 53
Romola 53
San Diego 53
Nanchang 43
Hebei 40
Los Angeles 40
Moscow 40
Tianjin 40
Shenyang 39
Brussels 37
London 36
Boardman 35
Toronto 34
Falls Church 32
Andover 28
Helsinki 25
Jinan 25
Rome 24
Zhengzhou 24
Changsha 23
Jiaxing 23
Norwalk 23
Chicago 22
Edmonton 22
Kunming 22
Ottawa 22
Ningbo 19
Sacramento 18
Venice 18
Brno 17
Monza 17
São Paulo 17
Montréal 16
Como 15
Hyderabad 14
Dallas 13
Hangzhou 13
Karlsruhe 12
Kiev 12
Nuremberg 12
Paris 12
Sesto San Giovanni 12
Barcelona 11
Belo Horizonte 11
Campinas 11
San Mateo 11
Düsseldorf 10
Leawood 10
Marseille 10
The Dalles 10
Brescia 9
Catania 9
Huizen 9
Lappeenranta 9
Modena 9
Naples 9
Taizhou 9
Turin 9
Utrecht 9
Berlin 8
Florence 8
Monmouth Junction 8
Mountain View 8
Perugia 8
Philadelphia 8
Rozzano 8
Tappahannock 8
Bari 7
Busto Arsizio 7
Totale 14.383
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 444
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 387
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 383
The large subunit of the regulatory [NiFe]-hydrogenase from Ralstonia eutropha – A minimal hydrogenase? 356
Experimental and Theoretical Investigation on the Catalytic Generation of Environmentally Persistent Free Radicals from Benzene 336
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 332
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 324
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 308
Dynamical behavior and conformational selection mechanism of the intrinsically disordered sic1 kinase-inhibitor domain 280
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 276
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 271
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 269
Interaction of the H-cluster of FeFe hydrogenase with halides 263
Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single-Center Aluminum(III) Catalyst and Quaternary Ammonium Salts 260
Theoretical and experimental investigation of UV–Vis absorption spectrum in a Eu(3+) based complex for luminescent downshifting applications 248
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 245
Targeting amyloid aggregation: An overview of strategies and mechanisms 236
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 232
A conserved loop in polynucleotide phosphorylase (PNPase) essential for both RNA and ADP/phosphate binding 230
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 229
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 225
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 223
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 220
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 219
Genetic analysis of polynucleotide phosphorylase structure and functions 218
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems 217
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 215
QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parameters 211
Organophosphorous ligands in hydrogenase-inspired iron-based catalysts: A DFT study on the energetics of metal protonation as a function of P-atom substitution 210
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 204
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 202
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 201
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 199
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 192
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 190
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 188
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 186
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 186
Can water act as a nucleophile in CO oxidation catalysed by Mo/Cu CO‐dehydrogenase? Answers from theory 186
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 184
Mechanistic analysis of nucleophilic substrates oxidation by functional models of vanadium-dependent haloperoxidases: A density functional theory study 182
New fei-fei complex featuring a rotated conformation related to [2fe]h subsite of the [fe-fe] hydrogenase 180
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 180
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 180
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 178
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 177
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 177
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 176
A system-level analysis of regulation of hSos1, the major activator of the Ras oncoprotein 174
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations 173
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 172
Regulation of hSos1 activity is a system-level property generated by its multi-domain structure 172
A DFT and QM/MM Investigation on Models Related to the [FeFe]-Hydrogenase Active Site 170
Protonation and electrochemical properties of a bisphosphide diiron hexacarbonyl complex bearing amino groups on the phosphide bridge 170
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 169
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 167
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 160
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 158
H2 binding and splitting on a new-generation [fefe]-hydrogenase model featuring a redox-active decamethylferrocenyl phosphine ligand: a theoretical investigation 158
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 156
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 155
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 155
Towards [NiFe]-hydrogenase biomimetic models that couple H2 binding with functionally relevant intramolecular electron transfers: a quantum chemical study 153
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 152
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 152
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation. 150
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 150
Temperature Dependence of the Catalytic Two- versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex 150
Optical and Structural Properties of Copper−Oxytocin Dications in the Gas Phase 149
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 147
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 143
Identification and in silico analysis of a new group of double-histone fold-containing proteins 142
Synthesis and spectroscopic characterisation of a heterodinuclear iron(III)-copper(II) complex based on an asymmetric dinucleating ligand system 141
New Systematic Route to Mixed-Valence Triiron Clusters Derived from Dinuclear Models of the Active Site of [Fe–Fe]-Hydrogenases 141
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 140
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 140
BLUF Hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study 139
Computational study on the structural stability of mutated Affitins 138
A Theoretical Study on the Enhancement of Functionally Relevant Electron Transfers in Biomimetic Models of [FeFe]-Hydrogenases 137
Quantum refinement of [FeFe]-hydrogenase indicates a dithiomethylamine ligand 135
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 134
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 133
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 131
Partition of the Reactive Species of the Suzuki-Miyaura Reaction between Aqueous and Micellar Environments 130
Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations 129
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 129
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 129
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 128
The oxidative inactivation of FeFe hydrogenase reveals the plasticity of the H-cluster 126
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 126
Evaluation of docking procedures reliability in affitins-partners interactions 124
Calix[4]arene-Based Sensitizers for Host-Guest Supramolecular Dyads for Solar Energy Conversion in Photoelectrochemical Cells 124
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 124
Mechanism of Fe-only hydrogenases studied by QM/MMn methods 120
Lewis Acid Trapping of an Elusive Copper–Tosylnitrene Intermediate Using Scandium Triflate 118
Functional effects on the TDDFT investigations in organometallic photochemistry 116
In-silico Modeling of [FeFe]-hydrogenase chemistry 116
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 113
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) 113
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 112
Totale 18.798
Salva come PNG Salva come JPEG
Categoria #
all - tutte 69.599
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 69.599
Salva come PNG Salva come JPEG


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020454 0 0 0 0 0 0 0 0 0 190 198 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
2024/20253.857 247 518 242 293 434 273 359 255 505 731 0 0
Totale 21.163