CINECA IRIS Institutional Research Information System

UGLIENGO, Piero
 Distribuzione geografica
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Continente #
NA - Nord America 31.067
EU - Europa 12.504
AS - Asia 3.784
SA - Sud America 358
AF - Africa 121
OC - Oceania 61
Continente sconosciuto - Info sul continente non disponibili 26
Totale 47.921
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Nazione #
US - Stati Uniti d'America 30.819
IT - Italia 4.607
CN - Cina 1.909
DE - Germania 1.446
IE - Irlanda 1.174
SE - Svezia 987
FR - Francia 970
UA - Ucraina 744
FI - Finlandia 625
SG - Singapore 579
GB - Regno Unito 471
KR - Corea 438
PL - Polonia 362
NL - Olanda 324
ES - Italia 291
VN - Vietnam 235
IN - India 170
CA - Canada 147
BR - Brasile 125
ID - Indonesia 122
RU - Federazione Russa 110
CL - Cile 107
MX - Messico 99
JP - Giappone 96
CO - Colombia 61
BE - Belgio 53
TH - Thailandia 52
DK - Danimarca 48
AR - Argentina 44
SK - Slovacchia (Repubblica Slovacca) 44
AU - Australia 41
HK - Hong Kong 41
SN - Senegal 39
CH - Svizzera 35
GR - Grecia 34
AT - Austria 33
PT - Portogallo 30
TR - Turchia 27
EU - Europa 25
NG - Nigeria 25
HU - Ungheria 23
MY - Malesia 21
NZ - Nuova Zelanda 20
TN - Tunisia 20
IR - Iran 18
PH - Filippine 18
TW - Taiwan 16
CZ - Repubblica Ceca 15
DZ - Algeria 15
NO - Norvegia 14
RO - Romania 14
IS - Islanda 12
EG - Egitto 10
IL - Israele 9
MA - Marocco 9
HR - Croazia 8
PK - Pakistan 8
RS - Serbia 8
UZ - Uzbekistan 8
PE - Perù 7
EC - Ecuador 6
JO - Giordania 5
MK - Macedonia 5
BG - Bulgaria 4
UY - Uruguay 4
VE - Venezuela 4
BA - Bosnia-Erzegovina 3
BY - Bielorussia 3
KZ - Kazakistan 3
SA - Arabia Saudita 3
LT - Lituania 2
A1 - Anonimo 1
AE - Emirati Arabi Uniti 1
AL - Albania 1
BD - Bangladesh 1
CR - Costa Rica 1
CU - Cuba 1
EE - Estonia 1
ET - Etiopia 1
IQ - Iraq 1
LK - Sri Lanka 1
LU - Lussemburgo 1
LV - Lettonia 1
MO - Macao, regione amministrativa speciale della Cina 1
OM - Oman 1
SI - Slovenia 1
TZ - Tanzania 1
ZA - Sudafrica 1
Totale 47.921
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Città #
Ann Arbor 14.383
Wilmington 1.869
Ashburn 1.577
Chandler 1.473
Beijing 1.426
Houston 1.343
Torino 1.216
Dublin 1.161
Fremont 984
Dearborn 843
Fairfield 612
Woodbridge 559
Munich 514
Buffalo 462
Jacksonville 450
Turin 440
Singapore 405
Princeton 361
Villeurbanne 345
Milan 327
Seattle 307
Warsaw 288
Redwood City 266
Medford 265
Nyköping 250
Boston 217
Pisa 207
Cambridge 189
Dong Ket 180
Barcelona 129
Jakarta 120
Piemonte 100
Verona 93
Phoenix 81
Helsinki 80
Guangzhou 71
Bologna 70
Norwalk 69
Boardman 68
Dallas 64
Scuola 60
Santa Clara 59
Santiago 59
Trieste 58
Rome 55
Los Angeles 52
Falls Church 49
San Diego 49
Des Moines 43
Toronto 43
Lachine 42
Nanjing 39
Perugia 39
Grenoble 38
Mountain View 37
Paris 34
Hefei 33
Frankfurt am Main 32
Hangzhou 32
Modena 31
New York 31
Vienna 31
Florence 30
Napoli 30
Pune 28
Novara 26
Ottawa 26
San Mauro Torinese 26
Bratislava 24
Brussels 23
Mexico 23
Abuja 22
Hebei 22
Venezia 22
London 21
Melipilla 21
Tokyo 21
Washington 20
Berlin 19
Jinan 19
Madrid 18
Medellín 18
Council Bluffs 17
Düsseldorf 17
Zhengzhou 17
Catania 16
Chengdu 16
Shanghai 16
Kunming 15
Minneapolis 15
Padova 15
Atlanta 14
Moscow 14
Nanchang 14
Parma 14
Pognana Lario 14
Shenzhen 14
Amsterdam 13
Genoa 13
Pavia 13
Totale 35.536
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Nome #
MOLDRAW: a program to display and manipulate molecular and crystalline structures 4.419
Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments 515
Ipotesi chimica sull'origine della vita: dal big bang ai primi esseri viventi 336
Large-Scale B3LYP Simulations of Ibuprofen Adsorbed in MCM-41 Mesoporous Silica as Drug Delivery System 271
DFT Modeling of 45S5 and 77S Soda-Lime Phospho-Silicate Glass Surfaces: Clues on Different Bioactivity Mechanism 269
Silica-based materials as drug adsorbents: First principle investigation on the role of water microsolvation on ibuprofen adsorption 255
Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as a Model for Biomaterial Interfaces 248
Role of dispersive interactions in the CO adsorption on MgO(001): periodic B3LYP calculations augmented with an empirical dispersion term 240
CO32–Mobility in Carbonate Apatite As Revealed by Density Functional Modeling 238
Modellizzazione ab initio dell’interazione tra biomolecole e le superfici di idrossiapatite 235
A new massively parallel version of CRYSTAL for large systems on High Performance Computing Architectures 233
Effects of metastability on hydrogen sorption in fluorine substituted hydrides 231
Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study 228
Simulation and Experiment Reveal a Complex Scenario for the Adsorption of an Antifungal Drug in Ordered Mesoporous Silica 224
Periodic ab initio bulk investigation of hydroxylapatite and type A carbonated apatite with both pseudopotential and all-electron basis sets for calcium atoms 222
Synthesis and Structural Investigation of Zr(BH4)(4) 222
COMPUTATIONAL STUDY OF INTERSTELLAR GLYCINE FORMATION OCCURRING AT RADICAL SURFACES OF WATER-ICE DUST PARTICLES 221
Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with bio-molecules 221
Vibrational Properties of MBH(4) and MBF(4) Crystals (M = Li, Na, K): A Combined DFT, Infrared, and Raman Study 218
Combined quantum chemical and modeling study of CO hydrogenation on water ice 217
Glycine Adsorption at Nonstoichiometric (010) Hydroxyapatite Surfaces: A B3LYP Study 216
Revealing Hydroxyapatite Nanoparticle Surface Structure by CO Adsorption: A Combined B3LYP and Infrared Study 216
Halide substitution in Ca(BH4)2 213
MOLDRAW. Molecular graphics on a personal computer 212
Coordination chemistry of Ca sites at the surface of nanosized hydroxyapatite: interaction with H2O and CO 209
Does Dispersion Dominate over H-Bonds in Drug–Surface Interactions? The Case of Silica-Based Materials As Excipients and Drug-Delivery Agents 209
Theoretical and experimental study of LiBH4-LiCl solid solution 207
Atomistic model of micelle-templated mesoporous silicas: structural, morphological and adsorption properties 206
NATURE AND STRUCTURE OF THE HYDRATED LAYER AT THESURFACE OF NANOSIZED HYDROXYAPATITE 205
A Computational Multiscale Approach to the Modeling of dynamical properties of 45S5 Bioglass® 203
Electronic Structure of Ti3+–Ethylene Complexes in Microporous Aluminophosphate Materials. A Combined EPR and DFT Study Elucidating the Role of SOMO Orbitals in Metal–Olefin π Complexes 202
Probing the fate of interstitial water in bulk bioactive glass by ab-initio simulations 201
The vibrational features of hydroxylapatite and type A carbonated apatite: A first principle contribution 201
B3LYP Periodic Study of the Physicochemical Properties of the Nonpolar (010) Mg-Pure and Fe-Containing Olivine Surfaces 198
Interstellar H adsorption and H2 formation on the crystalline (010) forsterite surface: a B3LYP-D2* periodic study 196
A computational study of thermodynamic properties of M-H-F systems for hydrogen storage applications 195
Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg2SiO4. 195
Does Adsorption at Hydroxyapatite Surfaces Induce Peptide Folding? Insights from Large-Scale B3LYP Calculations 193
Quantum Chemical Calculations of Surfaces and Interfaces of Materials 192
Thermodynamic properties of AlH3/AlF3 and MgH2/MgF2 systems as hydrogen storage materials: Acomputational approach 192
AB-INITIO QM STUDY ON HYDROXYAPATITE (001) AND (100) SURFACES 191
Theoretical Study of the Adsorption of RNA Bases on a Surface of Na+-Montmorillonite 190
Ab-initio QM study of hydroxyapatite (001) and (010) surfaces in interaction with water 188
Interstellar prebiotic formation of glycine delivery to Earth and polymerization on feldspars 183
Vibrational spectrum of brucite, Mg(OH)2: a periodic ab initio quantum mechanical calculation including OH anharmonicity 180
A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case 180
A computational study on the effect of fluorine substitution in LiBH4 180
Comparison of different approaches to the study of local defects in crystals. I. Theoretical considerations and computational schemes 179
Study of (1-alkoxyethyl)diphenylphosphine oxides. I. Syntheses and structural analyses of phenylethoxy, methoxy and isopentyloxy derivatives. 179
Structural and chemical properties of the hydroxyapatite surface. A computational ab initio and a microcalorimetric/IR spectroscopic characterization 178
Hydroxyls nests in defective silicalites and strained structures derived upon dehydroxylation: vibrational properties and theoretical modelling 177
B3LYP simulation of the full vibrational spectrum of 45S5bioactive silicate glass compared to nu-silica 177
Ab initio study of the gas-phase equilibrium between (H2O)4 and (H2O)8 176
Role of Calcium Hydroxyapatite in Bioglasses: ab-initio characterization of its Surface Properties. 176
H-chabazite with variable Si/Al ratio: stability and OH vibrational frequency computed in a periodic LCAO B3-LYP approach 175
DFT investigation of structural and vibrational properties of type B and mixed A-B carbonated hydroxylapatite 174
An in silico Spectroscopic Study of the 45S5 Bioglass® 173
Prebiotic Chemistry 173
Ab initio study of HCl and HF interaction with crystalline ice. I. Physical adsorption. 172
A periodic ab initio study of the structure and relative stability of silica polymorphs 172
A review of the computational studies of proton- and metal-exchanged chabazites as media for molecular hydrogen storage performed with the CRYSTAL code 172
A quantum mechanical study of the reactivity of (SiO)(2)-defective silica surfaces 172
A quantum mechanical periodic ab initio approach to Materials Science: the CRYSTAL program 171
F center in LiF: A quantum mechanical ab initio investigation of the hyperfine interaction between the unpaired electron at the vacancy and its first seven neighbors 170
Surface Properties of Silica-Based Biomaterials: CaSpecies at the Surface of Amorphous Silica As Model Sites 170
Ab-initio modeling of protein/biomaterial interactions: influence of amino acid polar side chains on adsorption at hydroxyapatite surfaces 170
Drug delivery mediated by silica based support: does dispersion dominate over H-bond interactions? 169
Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with biomolecules 169
Nearly free surface silanols are the critical molecular moieties that initiate the toxicity of silica particles 169
Vitamin C at 120 K: experimental and theoretical study of the charge density 168
A computational multiscale strategy to the study of amorphous materials 168
Elucidating the fundamental forces in protein crystal formation: The case of crambin 168
Elastic and Vibrational Properties of alpha- and beta-PbO 167
A Nearly Insulator Nanostructured Porous Silicon becomes either a p or an n-Type Semiconductor upon Gas Adsorption 167
Realistic models of hydroxylated amorphous silica surfaces and MCM-41 mesoporous material simulated by large-scale periodic B3LYP calculations 166
H-Bond Features of Fully Hydroxylated Surfaces of Crystalline Silica Polymorphs: A Periodic B3LYP Study 166
Ab initio quantum mechanical study of gamma-AlOOH boehimite: structure and vibrational spectrum 165
An ab initio parametrized interatomic force field for hydroxyapatite 164
Ab initio QM study of hydroxyapatite (001) and (100) surfaces 164
Computational Studies of Magnesium and Strontium Substitution in Hydroxyapatite 164
Ab initio investigation of the interaction of H2 with lithium exchanged low-silica chabazites 163
Ab initio modelling of complex systems with MPPcrystal 163
Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level 163
Ca SPECIES AT THE SURFACE OF NANOSIZED HYDROXYAPATITE.A COMPUTATIONAL AB INITIO AND A MICROCALORIMETRIC/IRSPECTROSCOPIC STUDY. 162
Ab Initio Modeling of Protein/Biomaterial Interactions: Glycine Adsorption at Hydroxyapatite Surfaces 160
Are dispersive forces relevant for CO adsorption on the MgO(001) surface? 159
Water Adsorption on the Stoichiometric (001) and (010) Surfaces of Hydroxyapatite: A Periodic B3LYP Study 159
Hydroxylated crystalline edingtonite silica faces as models for the amorphous silica surface 159
Vibration frequencies of Mg3Al2Si3O12 pyrope. An ab initio study with the CRYSTAL code 158
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals 158
Methylation of phenol over high-silica beta zeolite:Effect of zeolite acidity and crystal size on catalyst behaviour 157
Theoretical Study of Molecular Hydrogen Adsorption in Mg-Exchanged Chabazite 157
Assessment of different quantum mechanical methods for the prediction of structure and cohesive energy of molecular crystals 157
Cation selectivity in alkali-exchanged chabazite: An ab initio periodic study 157
Ab initio modeling of layered materials with the CRYSTAL code: an overview 157
Hydrogen bond in layered materials: Structural and vibrational properties of kaolinite by a periodic B3LYP approach 156
Ab initio study of the adducts of carbon monoxide with alkaline cations 156
First Principles Prediction of Structural, Vibrational and Thermodynamic Properties of Mixed Metal Hydrides and Fluorides 156
In Silico Prebiotic Chemistry: Aluminosilicate Surfaces As Promoters for the Peptide Bond Formation 156
Quantum chemical calculations and experimental evidence for O-bonding of carbon monoxide to alkali metal cations in zeolites 156
Totale 23.425
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Categoria #
all - tutte 114.012
article - articoli 0
book - libri 0
conference - conferenze 16.087
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 130.099
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20204.319 0 0 244 355 518 699 505 257 337 382 895 127
2020/20214.413 239 111 251 168 297 287 341 159 430 282 207 1.641
2021/202214.787 1.502 1.328 1.551 1.894 1.492 1.378 1.502 1.354 960 364 657 805
2022/20235.538 557 329 175 544 511 1.377 552 319 584 94 334 162
2023/20243.116 265 415 133 181 426 541 79 284 17 225 214 336
2024/2025716 114 424 178 0 0 0 0 0 0 0 0 0
Totale 49.085