Archivio istituzionale della ricerca dell'Università degli Studi di Palermo

DUCA, Dario
 Distribuzione geografica
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Continente #
NA - Nord America 6.237
EU - Europa 3.186
AS - Asia 561
SA - Sud America 11
OC - Oceania 3
Continente sconosciuto - Info sul continente non disponibili 2
AF - Africa 1
Totale 10.001
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Nazione #
US - Stati Uniti d'America 6.154
IT - Italia 907
FR - Francia 544
CN - Cina 454
FI - Finlandia 442
UA - Ucraina 433
IE - Irlanda 202
DE - Germania 192
GB - Regno Unito 186
SE - Svezia 91
CA - Canada 77
RU - Federazione Russa 67
BE - Belgio 38
RO - Romania 25
IN - India 24
IR - Iran 21
KR - Corea 21
HK - Hong Kong 19
ES - Italia 14
DK - Danimarca 10
JP - Giappone 9
CH - Svizzera 5
GR - Grecia 5
PL - Polonia 5
BR - Brasile 4
NL - Olanda 4
PR - Porto Rico 4
UZ - Uzbekistan 4
AR - Argentina 3
AT - Austria 3
BG - Bulgaria 3
PT - Portogallo 3
MD - Moldavia 2
MX - Messico 2
NO - Norvegia 2
NZ - Nuova Zelanda 2
PE - Perù 2
SG - Singapore 2
A2 - ???statistics.table.value.countryCode.A2??? 1
AU - Australia 1
BD - Bangladesh 1
CL - Cile 1
CO - Colombia 1
CZ - Repubblica Ceca 1
EU - Europa 1
HR - Croazia 1
IL - Israele 1
LB - Libano 1
MY - Malesia 1
NG - Nigeria 1
PK - Pakistan 1
SK - Slovacchia (Repubblica Slovacca) 1
TH - Thailandia 1
TW - Taiwan 1
Totale 10.001
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Città #
Fairfield 812
Ashburn 800
Chandler 547
Woodbridge 523
Wilmington 357
Houston 344
Ann Arbor 338
Seattle 322
Cambridge 278
Palermo 249
Jacksonville 237
Dublin 202
Medford 173
Des Moines 145
Nanjing 116
Princeton 106
Mcallen 80
Altamura 77
Montréal 72
Tulsa 68
Munich 57
Beijing 55
Lawrence 53
San Diego 48
Boardman 46
New York 42
Dearborn 40
Brussels 37
Hebei 35
Changsha 33
Ludwigshafen am Rhein 30
Shenyang 30
Milan 28
Nanchang 28
Jinan 23
Venice 23
Tianjin 19
Saint Petersburg 17
Kumar 16
Seongnam 16
Central 15
Auburn Hills 13
Jiaxing 13
London 13
Villabate 13
Falls Church 12
Guangzhou 12
Shanghai 12
Tehran 12
Ningbo 11
Orange 10
Washington 10
Verona 9
Gostar 8
Adrano 7
Florence 7
Norwalk 7
Rome 7
Taizhou 7
Zhengzhou 7
Haikou 6
Hangzhou 6
Hefei 6
Moscow 6
Piove Di Sacco 6
Redwood City 6
Torino 6
Xiamen 6
Copenhagen 5
Kunming 5
Lanzhou 5
Madison 5
Padova 5
San Jose 5
San Paolo di Civitate 5
Sciacca 5
Taiyuan 5
Tappahannock 5
Frederiksberg 4
Helsinki 4
Kraków 4
Madrid 4
Packwaukee 4
Pune 4
San German 4
San Mateo 4
Tokyo 4
Alcamo 3
Aveiro 3
Brescia 3
Caltanissetta 3
Canicattì 3
Catania 3
Chiswick 3
Düsseldorf 3
Fuenlabrada 3
Indiana 3
Islington 3
Kilburn 3
Lentini 3
Totale 6.900
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Nome #
Growth of sub-nanometric palladium clusters on boron nitride nanotubes: A DFT study 887
Boron Nitride‐supported Sub‐nanometer Pd6 Clusters for Formic Acid Decomposition: A DFT Study 169
H-ZSM-5 Modified Zeolite: Quantum Chemical Models of Acidic Sites 166
In situ ATR-IR studies in aqueous phase reforming of hydroxyacetone on Pt/ZrO2and Pt/AlO(OH) catalysts: The role of aldol condensation 165
Shape-Dependence of Pd Nanocrystal Carburization during Acetylene Hydrogenation 160
Cation Environment of BaCeO3-Based Protonic Conductors II: New Computational Models 156
Y:BaZrO3 Perovskite Compounds II: Designing Protonic Conduction by Using MD Models 154
Adsorbed CO on group 10 metal fragments: A DFT study 150
Molecular-Level Characterization of Heterogeneous Catalytic Systems by Algorithmic Time Dependent Monte Carlo 148
Y:BaZrO3 Perovskite Compounds I: DFT Study on the Unprotonated and Protonated Local Structures 148
A Combined Theoretical and Experimental Approach for Platinum Catalyzed 1,2-Propanediol Aqueous Phase Reforming 148
IDEA: interface dynamics and energetics algorithm 142
DFT Studies on Catalytic Properties of Isolated and Carbon Nanotube Supported Pd9 Cluster – I: Adsorption, Fragmentation and Diffusion of Hydrogen 142
A DFT study of IRMOF-3 catalysed Knoevenagel condensation 142
Density Functional Theory Investigation on the Nucleation of Homo- and Heteronuclear Metal Clusters on Defective Graphene 142
Cation Environment in BaCeO3-Based Protonic Conductors: a Computational Study 138
CASSCF/CASPT2 analysis of the fragmentation of H2 on a Pd4 cluster 137
Oxygen-Assisted Hydroxymatairesinol Dehydrogenation: A Selective Secondary-Alcohol Oxidation over a Gold Catalyst 136
H2 hitting on graphene supported palladium cluster: molecular dynamics simulations 136
Synthesis, characterization and conformational analysis of chloro-bis(glycylglycinate)germanium(IV) chloride 133
Butene Isomerization and Double-Bond Migration on the H-ZSM-5 Outer Surface: A Density Functional Theory Study 133
Investigation of Polyol Adsorption on Ru, Pd, and Re Using vdW Density Functionals 132
Construction and characterization of models of hypercrosslinked polystyrene 131
Hydrogenolysis of hydroxymatairesinol on Y derived catalysts: a computational study 129
Confined But-2-ene catalytic isomerization inside H-ZSM-5 models: A DFT study 127
α-d-Glucopyranose Adsorption on a Pd30 Cluster Supported on Boron Nitride Nanotube 125
N-Doped Carbon Networks: Alternative Materials Tracing New Routes for Activating Molecular Hydrogen 123
DFT insights into the oxygen-assisted selective oxidation of benzyl alcohol on manganese dioxide catalysts 121
Density Functional Theory Investigation on the Nucleation and Growth of Small Palladium Clusters on a Hyper-Cross-Linked Polystyrene Matrix 119
l-Arabinose Conformers Adsorption on Ruthenium Surfaces: A DFT Study 117
Graph-Based Analysis of Ethylene Glycol Decomposition on a Palladium Cluster 117
SCSA Code: Applications on the Cyclopeptide Renieramide 115
DFT studies on catalytic properties of isolated and carbon nanotube supported Pd9 cluster. Part II. Hydro-isomerization of butene isomers 112
Studio teorico della reazione di idroisomerizzazione del cis-butene su cluster di palladio supportato 111
Systematic conformational search analysis of the SRR and RRR epimers of 7-hydroxymatairesinol 111
Factors Controlling the Energy of Nitrogen Monolayer Coverage on High Surface Area Catalyst Oxide Carriers 110
Structural and kinetic DFT characterization of materials to rationalize catalytic performances 108
Alkali-Metal Azides Interacting with Metal–Organic Frameworks 105
Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts natural products 103
Computational Aspects in heterogeneous nano-catalysis 103
Propan-2-ol dehydration on H-ZSM-5 and H-Y zeolite: a DFT study 103
DFT calculations on subnanometric metal catalysts: a short review on new supported materials 103
Catalysis in confined spaces: computational study of H-ZSM5 zeolite reactivity 98
Computational Investigation of Alkynols and alkyndiols Hydrogenation on a Palladium Cluster 95
Structure Sensitivity of 2‐Methyl--butyn-2-ol Hydrogenation on Pd: Computational and Experimental Modeling 93
Hydrogen Arrangements on Defective Quasi-Molecular BN Fragments 89
Benzyl alcohol to benzaldehyde oxidation on MnOx clusters: Unraveling atomistic features 81
CO on Nickel: some computational insights about steric hindrance in loaded surfaces 80
Studi computazionali di proprietà catalitiche di zeoliti acide 79
H2 transformations on graphene supported palladium cluster: Dft-md simulations and neb calculations 79
null 78
Metodi quantomeccanici e Monte Carlo applicati a sistemi nanostrutturati 77
Quantum chemical models of acidic sites in H-ZSM-5 zeolites 76
Computational Investigation of Palladium Supported Boron Nitride Nanotube Catalysts 76
Information science and computational methods in the modern chemistry education 75
Relativistic coupled cluster calculations ofhe electronic structure of KrH+, XeH+ and RnH+ 75
L-arabinose adsorption on hydrogenated and hydrated ruthenium catalyst 75
BUTENE/H-ZSM-5:STUDIO COMPUTAZIONALE DI MODELLI DI SUPERFICIE E CATALITICI. 74
Conformational analysis and DFT calculations of 8 alpha-hydroxy-germacradiene-6,12-olide derivatives 72
Computational approaches used in the POLYCAT EU project 71
CO on Ni group metals: a theoretical study 70
Adsorption and reaction of small molecules on palladium clusters: DFT studies 69
Alkane dehydrogenation on defective BN quasi-molecular nanoflakes: DFT studies 69
HPS-based catalysts: a computational study 68
DFT study of reduction reactions on a palladium cluster supported on a carbon nanotube 67
COMPUTATIONAL APPROACHES EMPLOYED IN THE SusFuelCat PROJECT 67
MOF DERIVATIVES AS MOLECULAR TOOLS TO TRAP METAL AZIDES 66
Disclosing the emissive surface traps in green-emitting carbon nanodots 66
Curriculum didattico del Chimico Moderno: Discipline Informatiche e Computazionali 64
Catalytic activity of T22 H-ZSM-5 zeolite on the trans–cis 2-butene isomerization 64
Computational studies on systems derived from barium zirconate perovskite structure 64
Hydro-dimerization of PtCl2(C2H4)2 : model reaction to capture details on catalytic mechanisms 63
Helicopter rotation of CO on metal surfaces: a quantum mechanichs study 62
X-ray absorption spectra of Cu(II)- and Cu(III)- complexes of N,N’-1,2-phenylenebis(2-mercapto-2-methyl-propionamide) 62
Modeling of catalytic materials: advances in studying different supports 62
Chimica Inorganica 62
Propan-2-ol dehydration on acidic zeolite fragments: a DFT study 62
Palladium clusters on BNNT as catalysts for biomass conversion 62
A computational and experimental investigation of halloysite silicic surface modifications after alkaline treatment 61
Theoretical study of a palladium cluster on carbonaceous supports 61
Theoretical modeling of IRMOF-3: a computational approach on a heterogeneous Basic catalyst 60
DFT investigation of polyalcohols reforming on palladium cluster 59
A new algorithm to explain adsorption-desorption processes on metal surfaces 58
DFT study of but-2-ene isomerization on H-ZSM-5 modified catalyst 57
Empathes: A general code for nudged elastic band transition states search 57
Grid time dependent Monte Carlo simulations of nano catalytic systems 55
The IR spectrum of adsorbates from ab initio molecular dynamics simulations 55
Computational study of metal-free N-doped carbon networks as hydrogenation catalysts 54
MOF derivatives as cage for alkali-metal azides: a DFT study 53
A computational approach to study Aqueous Phase Reforming 53
Selective hydrogenation of 2-methyl-butyn-2-ol on Pd catalysts 53
Hydrogenation of but-2-yne-1,4-diol on a palladium cluster: a computational study 52
Growth of Palladium Clusters on a Boron Nitride Nanotube Support 50
DFT and kinetic evidences of the preferential CO oxidation pattern of manganese dioxide catalysts in hydrogen stream (PROX) 50
Computation of adsorbate IR spectrum by means of ab initio molecular dynamics 48
Tailored nanosized metal catalysts for improving activity and selectivity via engineering of their structure and local environment - NANOCAT PUBLISHABLE REPORT 45
IRMOF-3 Zn4O Vertices: Role in Knoevenagel Condensation 43
The SIESTA method applied to the study of renewable fuel synthesis 43
INSIGHTS WITHIN APR PROCESS USING VDW-DF FUNCTIONAL 41
NAOs and vdW‐DF for simulating co‐adsorption of water and polyols on metal surfaces 41
Totale 10.018
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Categoria #
all - tutte 33.136
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 33.136
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019526 0 0 0 0 0 0 0 0 0 90 213 223
2019/20202.649 284 58 117 213 288 339 322 220 314 148 181 165
2020/20211.611 99 214 93 194 169 57 96 85 146 196 112 150
2021/20221.303 78 259 20 64 50 43 62 53 142 133 123 276
2022/20231.596 164 276 37 139 174 244 121 117 184 31 68 41
2023/2024666 37 127 34 127 66 155 52 53 7 8 0 0
Totale 10.420