IRIS - Res&Arch Institutional Research Information System - Research & Archive

BELANZONI, Paola
 Distribuzione geografica
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Continente #
NA - Nord America 2.651
EU - Europa 1.918
AS - Asia 966
Continente sconosciuto - Info sul continente non disponibili 5
SA - Sud America 2
AF - Africa 1
Totale 5.543
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Nazione #
US - Stati Uniti d'America 2.639
IE - Irlanda 513
UA - Ucraina 424
SG - Singapore 375
IT - Italia 311
HK - Hong Kong 248
SE - Svezia 199
VN - Vietnam 164
CN - Cina 120
DE - Germania 115
FI - Finlandia 114
RU - Federazione Russa 113
GB - Regno Unito 32
FR - Francia 25
NL - Olanda 15
CH - Svizzera 14
KR - Corea 13
UZ - Uzbekistan 12
BE - Belgio 11
LB - Libano 9
TR - Turchia 9
PL - Polonia 7
MX - Messico 6
CA - Canada 5
ES - Italia 5
EU - Europa 5
AT - Austria 4
CZ - Repubblica Ceca 3
JP - Giappone 3
ID - Indonesia 2
IN - India 2
LT - Lituania 2
PK - Pakistan 2
PT - Portogallo 2
RO - Romania 2
SK - Slovacchia (Repubblica Slovacca) 2
TW - Taiwan 2
AE - Emirati Arabi Uniti 1
AM - Armenia 1
CL - Cile 1
CO - Colombia 1
DK - Danimarca 1
GR - Grecia 1
IL - Israele 1
IR - Iran 1
LU - Lussemburgo 1
LV - Lettonia 1
MA - Marocco 1
NO - Norvegia 1
PA - Panama 1
TH - Thailandia 1
Totale 5.543
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Città #
Dublin 512
Chandler 484
Singapore 301
San Mateo 262
Hong Kong 248
Boardman 187
Dong Ket 163
Jacksonville 148
Santa Clara 145
Medford 126
Princeton 126
Wilmington 103
Altamura 101
Lawrence 90
Perugia 87
Des Moines 78
Ann Arbor 76
Andover 52
Beijing 36
Saint Petersburg 34
Redmond 26
Falls Church 24
Norwalk 22
San Paolo di Civitate 21
Ashburn 15
Woodbridge 14
Los Angeles 12
Brussels 11
Seoul 11
Bologna 10
Helsinki 10
New York 10
Izmir 9
Amsterdam 8
Shanghai 8
Dearborn 7
Moscow 7
Chicago 6
Den Haag 5
Houston 5
Lappeenranta 5
Rome 5
Dallas 4
Frankfurt Am Main 4
Milan 4
Nanjing 4
Padova 4
Guangzhou 3
Laurel 3
Mexico City 3
Redwood City 3
Tokyo 3
Udine 3
Baotou 2
Barcelona 2
Bratislava 2
Cambridge 2
Chengdu 2
Chennai 2
Cremosano 2
Esslingen am Neckar 2
Frankfurt am Main 2
Fuzhou 2
Garden City 2
Gualdo Tadino 2
Hebei 2
Hefei 2
Islamabad 2
Lausanne 2
Lisbon 2
Montréal 2
Paris 2
Seattle 2
Shenzhen 2
Taipei 2
Tappahannock 2
Tianjin 2
Toronto 2
Vienna 2
Auburn Hills 1
Baoding 1
Bogotá 1
Burghausen 1
Cardiff 1
Chongqing 1
Dongguan 1
Dubai 1
Edinburgh 1
Fairfield 1
Falkenstein 1
Foligno 1
Groningen 1
Hamedan 1
Handan 1
Hanover 1
Kemerovo 1
Luxembourg 1
Madrid 1
Mcallen 1
Memphis 1
Totale 3.721
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Nome #
Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects 124
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 105
Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment 103
Activity and degradation pathways of penthamethyl-cyclopentadienyl-iridium catalysts for water oxidation 91
Bonding configurations and observed XPS features at the hydrogen terminated (100) Si surface: what can we gain from computational chemistry. 83
Activation of the C-H bond by electrophilic attack: theoretical study of the reaction mechanism of the aerobic oxidation of alcohols to aldehydes by the Cu(bipy) 2+ /2,2,6,6-tetramethylpiperidinyl-1-oxy cocatalyst system 81
Functionalization of atomically flat, hydrogen terminated, 1 x 1 and 2 x 1 (100) silicon surfaces via reaction with 1-alkyne: a DFT study 81
Changes in the Interaction Mode of Bridging “C2” Units According to Transition Metal Parameters:  A Theoretical Approach 74
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 70
Atomic-silicon cryptates in siloxanic networks 67
Atomic-silicon in siloxanic networks: the nature of the oxo-oxygen-silicon bond 67
A theoretical analysis of [M(tmtaa)] and [M(acacen)] fragments employed in the organometallic chemistry of early transition metals 66
Atomic silicon in siloxanic matrices: a density functional approach 65
Theoretical investigations on inorganic systems and aggregates by density functional methods 64
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis 64
Study on the Phenomenon Reported “Neutron Generation at Room Temperature in a Cylinder Packed with Titanium Shavings and Pressurized Deuterium Gas” (3) 62
Energy vs Charge Transfer in Manganese-Doped Lead Halide Perovskites 62
O2 activation in a dinuclear Fe(II)/EDTA complex: spin surface crossing as a route to highly reactive Fe(IV)oxo species 61
Similarity and dissimilarity of hydroxylation by dinuclear methane monooxygenase and the ubiquitous mononuclear Fe(IV)O2+ group 61
Electronic Structure, Heisenberg Coupling Constants, and Metal−Metal Bond in Dimeric Iron(II) Organometallics with the Metal Centers at Variable Distances:  A Density Functional Approach 60
Activity and deactivation pathways of penthamethyl-cyclopentadienyl-iridium molecular catalysts for water oxidation 60
Density functional investigations on the C-C bond formation and cleavage in molecular batteries 59
An abiotic analogue of the diiron(IV)oxo "diamond core" of soluble methane monooxygenase generated by direct activation of O2 in aqueous Fe(II)/EDTA solutions: thermodynamics and electronic structure 58
Density functional study of magnetic coupling parameters. Reconciling theory and experiment for the TiF3 complex. 57
Assigning chemical configurations to the XPS features observed at pristine (100) Si surface resulting after etching in HF aqueous solution 57
Spin‐forbidden reactivity of transition metal‐oxo species: exploring the potential energy surfaces 57
Indagini teoriche su sistemi e aggregati inorganici con metodi ab initio 56
An evaluation of the density functional approach in the Zeroth Order Regular Approximation, ZORA, for relativistic effects: magnetic interactions in small metal complexes 56
Hydroxylation catalysis by mononuclear and dinuclear iron oxo catalysts: a methane monooxygenase model system versus the Fenton reagent Fe(IV)O(H2O)5 2+ 56
Hydroxylation catalysis by mononuclear and dinuclear iron oxo catalysts: a methane monooxygenase model system versus the Fenton reagent FeIVO(H2O)52+ 54
Theoretical approach to a chemical system convertible into a storage cell: Carbon-carbon bonds functioning as electron donor and electron acceptor units 54
Calcolo della struttura elettronica di grandi sistemi molecolari, aggregati, cluster e sistemi estesi con metodi quantistici ab initio 54
Activity and degradation of organometallic iridium(III) molecular catalysts for water oxidation 54
An evaluation of the density functional approach in the zero order regular approximation for relativistic effects: magnetic interactions in small metal compounds 53
A theoretical approach to a chemical system convertible into a storage cell: carbon_carbon bonds functioning as electron donor and electron acceptor units 52
Spin–orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine 52
A density functional investigation on the structural and electronic properties of niobium–silsesquioxane and niobium-2,2′-thiobisphenolic frameworks as models of an oxo surface 51
"Anomalous" behavior of atomic silicon: a DFT approach to silicon surfaces 51
Dioxygen insertion into the gold(I)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition 51
Ground and excited electronic states of AuH2 via detachment energies on AuH2− using state-of-the-art relativistic calculations 51
Catalytic oxidation of water with high-spin iron(IV)−oxo species: role of the water solvent 50
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled 50
Spin interaction in dinuclear Fe/EDTA compounds 49
A density functional investigation on d0-Zr(IV) organometallic fragments 49
Solvent-, Silver-, and Acid-Free NHC-Au-X Catalyzed Hydration of Alkynes. The Pivotal Role of the Counterion 49
Interaction mode of bridging "C2" units in dinuclear complexes of late transition metals in low oxidation states: a theoretical approach 49
Counterintuitive assignment of the lines observed by x-ray photoelectron spectroscopy at the hydrogen-terminated (100) surface of silicon 48
A theoretical approach to molecular batteries: C-C bonds functioning as electron shuttles 48
Strong electron-donating ligands accelerate the protodeauration step in gold(I)-catalyzed reactions: a quantitative understanding of the ligand effect 48
An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes 48
Carbon chain bridged metals: a theoretical approach. Odd chains 47
The mechanism of the gold(I)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-ol via 4-endo-dig cyclization 47
Cu(bipy)2+/TEMPO catalyzed oxidation of alcohols: radical or non-radicalmechanism? 46
The electronic structure and bonding of the polynuclear aryl derivatives of the group IB metals Cu5(C6H5)5, Ag4(C6H5)4 and Au5(C6H5)5 by density functional theory 46
The ligand effect on the oxidative addition of dioxygen to gold(I)–hydride complexes 46
Ligand Effect on Bonding in Gold(III) Carbonyl Complexes 45
The existence of atomic-like states of silicon in siloxanic networks: a DFT approach 44
The gold(III)–CO bond: a missing piece in the gold carbonyl complex landscape 44
Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory 44
Unraveling the Anion/Ligand Interplay in the Reaction Mechanism of Gold(I)-Catalyzed Alkoxylation of Alkynes 43
Spectroscopic/Bond Property Relationship in Group 11 Dihydrides via Relativistic Four-Component Methods 43
How silylene defects at (100) Si surfaces can account for the anomalous features observed via x-ray photoelectron spectroscopy 42
Oligomerization of the PH3CuC⋮CCuPH3Acetylide toward the Formation of (PH3CuC)n(n= 4, 6, 8) Metal Carbides:  A Theoretical Study Based on Density Functional Theory 42
Hydration and alkoxylation of alkynes catalyzed by NHC–Au–OTf 42
Role of Ion Pairing in the Mechanisms of Au(I)-catalysed Reactions: Theory and Experiment 42
Density functional investigations on the C-C bond formation and cleavage in molecular batteries 41
Theoretical investigations on inorganic material precursors 41
Understanding the Catalase-Like Activity of a Bioinspired Manganese(II) Complex with a Pentadentate NSNSN Ligand Framework. A Computational Insight into the Mechanism 41
Electronic communication between carbon chain bridged metals: a theoretical approach.I - Even Chains 40
Theoretical search of atomic-like states of silicon at the surface of thermally grown SiO2 films on silicon surfaces 40
Neutron generation via the mechanism adsorption of pressurized deuterium on an electron deficient titanium matrix. An MD-DFT combined analysis on the mechanism of the Ti-D bond formation 40
Efficient water oxidation by cerium ammonium nitrate with iridium-pentamethyl-cyclopentadienyl catalysts 40
A theoretical analysis of the fundamental stepwise six-electron oxidation of porphyrinogen to porphyrins: the energetics of porphodimethene and artificial porphyrin intermediates  40
Theoretical investigation on inorganic system and aggregates by density functional methods 40
Silylene defect at the dihydrogen terminated (100) Si surface 39
On the electronic structure and bonding of the polynuclear aryl derivatives of the group IB metals Cu5(C6H5)5, Ag4(C6H5)4 and Au5(C6H5)5 by density functional theory 39
Extensive Experimental and Computational Study of Counterion Effect in the Reaction Mechanism of NHC-Gold(I)-Catalyzed Alkoxylation of Alkynes 39
Planar tetracoordinated silicon in silicon carbonyl complexes: a DFT approach 38
Reactivity of silicon carbonyl with ethylene 38
On the electronic structure and bonding of the polynuclear aryl derivatives of the group IB metals Cu5(C6H5)5, Ag4(C6H5)4 and Au5(C6H5)5 by density functional theory 38
Efficient Computation of Geometries for Gold Complexes 38
On the design of a planar oxo matrix for binding transition metals: a density functional approach 37
Experimental and theoretical investigation of the cycloisomerization of N-propargylcarboxamide catalyzed by NHC-Au-X in green solvents 37
An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2 37
The uranyl ion revisited: the electric field gradient at U as a probe of environmental effects 36
Relativistic calculation of hyperfine and electron spin resonance parameters in diatomic molecules 36
Understanding the Deactivation Pathways of Iridium(III) Pyridine-Carboxiamide Catalysts for Formic Acid Dehydrogenation 36
Density functional study of magnetic coupling parameters. F and H hyperfine splitting in the prototype inorganic (d1) and organic (p1) radicals TiF3 and CH3 36
Gold-Aluminyl and Gold-Diarylboryl Complexes: Bonding and Reactivity with Carbon Dioxide 36
The silicon carbonyls revisited: on the existence of a planar Si(CO)4 35
Indagini teoriche sull'attivazione del diossigeno in complessi dinucleari ferro/EDTA 35
The silicon chemistry: silicon-carbonyls as a new class of inorganic compounds 35
Unexpected anion effect in the alkoxylation of alkynes catalyzed by N-Heterocyclic Carbene (NHC) cationic gold complexes 35
Tuning the Gold(I)-Carbon σ Bond in Gold-Alkynyl Complexes through Structural Modifications of the NHC Ancillary Ligand: Effect on Spectroscopic Observables and Reactivity 35
Stepwise hapticity changes in sequential one-electron redox reactions of indenyl-molybdenum complexes: combined electrochemical, ESR, X-ray and theoretical studies 34
Oligomerization of early transition metal [M{(OH)3}2(mu-C2)] acetylides toward the formation of [(OH)3MC]n (n=4,6) metalla carbides: a theoretical study by density functional theory 34
Metal-metal and carbon-carbon bonds as potential components of molecular batteries 34
On the dual deuterium/deuteron nature of D charge distribution in the Ti host matrix: a DFT analysis 34
Hydration of alkynes catalyzed by [Au(X)(L)(ppy)]X in the green solvent γ-valerolactone under acid-free conditions: the importance of the pre-equilibrium step 34
Modeling solvent effects on electron-spin-resonance hyperfine couplings by frozen-density embedding 33
Totale 5.056
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Categoria #
all - tutte 27.889
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 27.889
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020239 0 0 0 0 0 11 63 5 83 25 16 36
2020/2021900 2 79 27 83 263 51 42 3 76 36 56 182
2021/2022941 18 160 26 27 32 22 13 302 26 41 115 159
2022/20231.810 140 289 25 103 138 252 3 92 677 4 57 30
2023/2024674 62 64 27 6 13 3 160 20 99 21 103 96
2024/2025689 20 169 31 110 303 56 0 0 0 0 0 0
Totale 5.975