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

BELANZONI, Paola
 Distribuzione geografica
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Continente #
NA - Nord America 2.317
EU - Europa 1.891
AS - Asia 709
Continente sconosciuto - Info sul continente non disponibili 5
SA - Sud America 2
Totale 4.924
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Nazione #
US - Stati Uniti d'America 2.306
IE - Irlanda 512
UA - Ucraina 424
IT - Italia 303
HK - Hong Kong 248
SE - Svezia 199
VN - Vietnam 163
SG - Singapore 153
FI - Finlandia 114
RU - Federazione Russa 112
DE - Germania 111
CN - Cina 91
GB - Regno Unito 32
FR - Francia 23
CH - Svizzera 13
KR - Corea 13
NL - Olanda 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
JP - Giappone 3
CZ - Repubblica Ceca 2
ID - Indonesia 2
IN - India 2
RO - Romania 2
TW - Taiwan 2
CL - Cile 1
CO - Colombia 1
GR - Grecia 1
IR - Iran 1
NO - Norvegia 1
PK - Pakistan 1
PT - Portogallo 1
SK - Slovacchia (Repubblica Slovacca) 1
Totale 4.924
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Città #
Dublin 511
Chandler 484
San Mateo 262
Hong Kong 248
Dong Ket 163
Jacksonville 148
Medford 126
Princeton 126
Wilmington 103
Altamura 101
Lawrence 90
Perugia 85
Singapore 85
Des Moines 78
Ann Arbor 76
Andover 52
Beijing 36
Boardman 34
Saint Petersburg 34
Redmond 26
Falls Church 24
Norwalk 22
San Paolo di Civitate 21
Ashburn 14
Woodbridge 14
Brussels 11
Los Angeles 11
Seoul 11
Bologna 10
Helsinki 10
Izmir 9
New York 9
Amsterdam 7
Dearborn 7
Moscow 7
Shanghai 7
Chicago 6
Den Haag 5
Houston 5
Lappeenranta 5
Frankfurt Am Main 4
Milan 4
Padova 4
Rome 4
Guangzhou 3
Laurel 3
Mexico City 3
Nanjing 3
Redwood City 3
Tokyo 3
Udine 3
Baotou 2
Barcelona 2
Cambridge 2
Chennai 2
Cremosano 2
Esslingen am Neckar 2
Frankfurt am Main 2
Fuzhou 2
Garden City 2
Gualdo Tadino 2
Hebei 2
Lausanne 2
Montréal 2
Paris 2
Seattle 2
Taipei 2
Tappahannock 2
Toronto 2
Vienna 2
Auburn Hills 1
Bogotá 1
Bratislava 1
Burghausen 1
Cardiff 1
Chengdu 1
Edinburgh 1
Fairfield 1
Falkenstein 1
Foligno 1
Groningen 1
Hamedan 1
Hanover 1
Hefei 1
Islamabad 1
Kemerovo 1
Lisbon 1
Madrid 1
Mcallen 1
Memphis 1
Nagold 1
Olomouc 1
Orlando 1
Oslo 1
Ottawa 1
Phoenix 1
Ponte 1
Riva 1
Salento 1
San Secondo 1
Totale 3.188
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Nome #
Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects 117
Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment 98
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 97
Activity and degradation pathways of penthamethyl-cyclopentadienyl-iridium catalysts for water oxidation 84
Bonding configurations and observed XPS features at the hydrogen terminated (100) Si surface: what can we gain from computational chemistry. 80
Functionalization of atomically flat, hydrogen terminated, 1 x 1 and 2 x 1 (100) silicon surfaces via reaction with 1-alkyne: a DFT study 77
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 74
Changes in the Interaction Mode of Bridging “C2” Units According to Transition Metal Parameters:  A Theoretical Approach 71
Atomic-silicon cryptates in siloxanic networks 63
Atomic-silicon in siloxanic networks: the nature of the oxo-oxygen-silicon bond 63
Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis 61
Theoretical investigations on inorganic systems and aggregates by density functional methods 59
Atomic silicon in siloxanic matrices: a density functional approach 58
Study on the Phenomenon Reported “Neutron Generation at Room Temperature in a Cylinder Packed with Titanium Shavings and Pressurized Deuterium Gas” (3) 58
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 58
O2 activation in a dinuclear Fe(II)/EDTA complex: spin surface crossing as a route to highly reactive Fe(IV)oxo species 57
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 57
A theoretical analysis of [M(tmtaa)] and [M(acacen)] fragments employed in the organometallic chemistry of early transition metals 57
Similarity and dissimilarity of hydroxylation by dinuclear methane monooxygenase and the ubiquitous mononuclear Fe(IV)O2+ group 57
Energy vs Charge Transfer in Manganese-Doped Lead Halide Perovskites 57
Activity and deactivation pathways of penthamethyl-cyclopentadienyl-iridium molecular catalysts for water oxidation 56
Density functional investigations on the C-C bond formation and cleavage in molecular batteries 55
Density functional study of magnetic coupling parameters. Reconciling theory and experiment for the TiF3 complex. 53
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 53
Indagini teoriche su sistemi e aggregati inorganici con metodi ab initio 53
Hydroxylation catalysis by mononuclear and dinuclear iron oxo catalysts: a methane monooxygenase model system versus the Fenton reagent Fe(IV)O(H2O)5 2+ 53
Assigning chemical configurations to the XPS features observed at pristine (100) Si surface resulting after etching in HF aqueous solution 52
Hydroxylation catalysis by mononuclear and dinuclear iron oxo catalysts: a methane monooxygenase model system versus the Fenton reagent FeIVO(H2O)52+ 51
An evaluation of the density functional approach in the Zeroth Order Regular Approximation, ZORA, for relativistic effects: magnetic interactions in small metal complexes 50
Calcolo della struttura elettronica di grandi sistemi molecolari, aggregati, cluster e sistemi estesi con metodi quantistici ab initio 49
Activity and degradation of organometallic iridium(III) molecular catalysts for water oxidation 49
Spin‐forbidden reactivity of transition metal‐oxo species: exploring the potential energy surfaces 49
Dioxygen insertion into the gold(I)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition 48
Theoretical approach to a chemical system convertible into a storage cell: Carbon-carbon bonds functioning as electron donor and electron acceptor units 47
"Anomalous" behavior of atomic silicon: a DFT approach to silicon surfaces 47
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled 47
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 46
Solvent-, Silver-, and Acid-Free NHC-Au-X Catalyzed Hydration of Alkynes. The Pivotal Role of the Counterion 46
Spin interaction in dinuclear Fe/EDTA compounds 45
Counterintuitive assignment of the lines observed by x-ray photoelectron spectroscopy at the hydrogen-terminated (100) surface of silicon 45
Catalytic oxidation of water with high-spin iron(IV)−oxo species: role of the water solvent 45
Strong electron-donating ligands accelerate the protodeauration step in gold(I)-catalyzed reactions: a quantitative understanding of the ligand effect 45
Carbon chain bridged metals: a theoretical approach. Odd chains 44
Spin–orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine 44
An evaluation of the density functional approach in the zero order regular approximation for relativistic effects: magnetic interactions in small metal compounds 43
A theoretical approach to molecular batteries: C-C bonds functioning as electron shuttles 43
A density functional investigation on d0-Zr(IV) organometallic fragments 43
Ground and excited electronic states of AuH2 via detachment energies on AuH2− using state-of-the-art relativistic calculations 43
An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes 43
Cu(bipy)2+/TEMPO catalyzed oxidation of alcohols: radical or non-radicalmechanism? 42
A theoretical approach to a chemical system convertible into a storage cell: carbon_carbon bonds functioning as electron donor and electron acceptor units 42
The ligand effect on the oxidative addition of dioxygen to gold(I)–hydride complexes 41
The mechanism of the gold(I)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-ol via 4-endo-dig cyclization 41
Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory 41
The gold(III)–CO bond: a missing piece in the gold carbonyl complex landscape 40
Unraveling the Anion/Ligand Interplay in the Reaction Mechanism of Gold(I)-Catalyzed Alkoxylation of Alkynes 40
Ligand Effect on Bonding in Gold(III) Carbonyl Complexes 40
How silylene defects at (100) Si surfaces can account for the anomalous features observed via x-ray photoelectron spectroscopy 39
The existence of atomic-like states of silicon in siloxanic networks: a DFT approach 39
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 39
Role of Ion Pairing in the Mechanisms of Au(I)-catalysed Reactions: Theory and Experiment 39
Theoretical investigations on inorganic material precursors 38
Hydration and alkoxylation of alkynes catalyzed by NHC–Au–OTf 38
Interaction mode of bridging "C2" units in dinuclear complexes of late transition metals in low oxidation states: a theoretical approach 38
Theoretical search of atomic-like states of silicon at the surface of thermally grown SiO2 films on silicon surfaces 37
Theoretical investigation on inorganic system and aggregates by density functional methods 37
Electronic communication between carbon chain bridged metals: a theoretical approach.I - Even Chains 36
Silylene defect at the dihydrogen terminated (100) Si surface 36
Density functional investigations on the C-C bond formation and cleavage in molecular batteries 36
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 36
Efficient water oxidation by cerium ammonium nitrate with iridium-pentamethyl-cyclopentadienyl catalysts 36
Extensive Experimental and Computational Study of Counterion Effect in the Reaction Mechanism of NHC-Gold(I)-Catalyzed Alkoxylation of Alkynes 36
Planar tetracoordinated silicon in silicon carbonyl complexes: a DFT approach 35
Reactivity of silicon carbonyl with ethylene 35
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 35
A theoretical analysis of the fundamental stepwise six-electron oxidation of porphyrinogen to porphyrins: the energetics of porphodimethene and artificial porphyrin intermediates  35
Understanding the Catalase-Like Activity of a Bioinspired Manganese(II) Complex with a Pentadentate NSNSN Ligand Framework. A Computational Insight into the Mechanism 35
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 34
On the design of a planar oxo matrix for binding transition metals: a density functional approach 34
Efficient Computation of Geometries for Gold Complexes 34
The uranyl ion revisited: the electric field gradient at U as a probe of environmental effects 33
Relativistic calculation of hyperfine and electron spin resonance parameters in diatomic molecules 33
Density functional study of magnetic coupling parameters. F and H hyperfine splitting in the prototype inorganic (d1) and organic (p1) radicals TiF3 and CH3 33
The silicon carbonyls revisited: on the existence of a planar Si(CO)4 32
The silicon chemistry: silicon-carbonyls as a new class of inorganic compounds 32
Spectroscopic/Bond Property Relationship in Group 11 Dihydrides via Relativistic Four-Component Methods 32
Experimental and theoretical investigation of the cycloisomerization of N-propargylcarboxamide catalyzed by NHC-Au-X in green solvents 32
Stepwise hapticity changes in sequential one-electron redox reactions of indenyl-molybdenum complexes: combined electrochemical, ESR, X-ray and theoretical studies 31
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 31
Metal-metal and carbon-carbon bonds as potential components of molecular batteries 31
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 31
Indagini teoriche sull'attivazione del diossigeno in complessi dinucleari ferro/EDTA 31
On the dual deuterium/deuteron nature of D charge distribution in the Ti host matrix: a DFT analysis 31
Unexpected anion effect in the alkoxylation of alkynes catalyzed by N-Heterocyclic Carbene (NHC) cationic gold complexes 31
Modeling solvent effects on electron-spin-resonance hyperfine couplings by frozen-density embedding 30
Evaluation of the Coulomb energy in relativistic self-consistent field theory 30
Theoretical investigations on the magnetic properties of inorganic compounds 30
How to make the iron-oxo group an effective catalyst in the oxidation of C-H bonds and water 30
Understanding the Deactivation Pathways of Iridium(III) Pyridine-Carboxiamide Catalysts for Formic Acid Dehydrogenation 30
Gold-Aluminyl and Gold-Diarylboryl Complexes: Bonding and Reactivity with Carbon Dioxide 30
Totale 4.578
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Categoria #
all - tutte 22.305
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 22.305
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020344 5 6 46 4 44 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
2024/202515 15 0 0 0 0 0 0 0 0 0 0 0
Totale 5.301