CINECA IRIS Institutional Research Information System

UGLIENGO, Piero
 Distribuzione geografica
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Continente #
NA - Nord America 28963
EU - Europa 11629
AS - Asia 2910
SA - Sud America 251
AF - Africa 90
OC - Oceania 40
Continente sconosciuto - Info sul continente non disponibili 26
Totale 43909
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Nazione #
US - Stati Uniti d'America 28749
IT - Italia 4135
CN - Cina 1850
DE - Germania 1384
IE - Irlanda 1142
SE - Svezia 984
FR - Francia 906
UA - Ucraina 735
FI - Finlandia 565
GB - Regno Unito 448
KR - Corea 429
PL - Polonia 347
NL - Olanda 304
ES - Italia 242
VN - Vietnam 233
CA - Canada 134
IN - India 126
CL - Cile 84
RU - Federazione Russa 84
MX - Messico 78
BR - Brasile 74
JP - Giappone 71
BE - Belgio 65
CO - Colombia 48
DK - Danimarca 47
TH - Thailandia 46
SK - Slovacchia (Repubblica Slovacca) 40
SN - Senegal 39
GR - Grecia 34
AU - Australia 32
AR - Argentina 31
PT - Portogallo 30
CH - Svizzera 29
AT - Austria 27
EU - Europa 25
HK - Hong Kong 23
MY - Malesia 19
TN - Tunisia 18
TR - Turchia 18
IR - Iran 16
PH - Filippine 14
DZ - Algeria 13
RO - Romania 13
CZ - Repubblica Ceca 12
ID - Indonesia 12
NO - Norvegia 12
SG - Singapore 12
HU - Ungheria 8
NZ - Nuova Zelanda 8
RS - Serbia 8
UZ - Uzbekistan 8
EG - Egitto 7
IL - Israele 7
IS - Islanda 7
MA - Marocco 7
PE - Perù 7
PK - Pakistan 7
TW - Taiwan 7
EC - Ecuador 6
BA - Bosnia-Erzegovina 3
BG - Bulgaria 3
BY - Bielorussia 3
JO - Giordania 3
MK - Macedonia 3
NG - Nigeria 3
HR - Croazia 2
LT - Lituania 2
SA - Arabia Saudita 2
A1 - ???statistics.table.value.countryCode.A1??? 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
KZ - Kazakistan 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
VE - Venezuela 1
ZA - Sudafrica 1
Totale 43909
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Città #
Ann Arbor 14331
Wilmington 1860
Chandler 1469
Beijing 1418
Houston 1338
Torino 1214
Dublin 1129
Fremont 979
Ashburn 963
Dearborn 840
Fairfield 612
Woodbridge 558
Munich 510
Buffalo 460
Jacksonville 447
Princeton 360
Villeurbanne 344
Turin 291
Warsaw 283
Seattle 267
Redwood City 266
Medford 265
Milan 257
Nyköping 249
Boston 216
Pisa 203
Cambridge 189
Dong Ket 179
Barcelona 116
Piemonte 100
Verona 90
Norwalk 68
Boardman 66
Dallas 64
Scuola 60
Guangzhou 59
Bologna 58
Trieste 56
Falls Church 49
San Diego 49
Santiago 46
Des Moines 43
Lachine 42
Rome 41
Toronto 41
Nanjing 39
Grenoble 38
Mountain View 37
Helsinki 36
Brussels 35
Perugia 35
Hangzhou 32
Hefei 32
Paris 31
Napoli 30
Frankfurt am Main 28
Los Angeles 27
Novara 26
Ottawa 26
Vienna 26
Florence 25
Mexico 23
San Mauro Torinese 23
Hebei 22
Modena 22
Venezia 22
Melipilla 21
Bratislava 20
London 20
Jinan 19
Philadelphia 18
Düsseldorf 17
Madrid 17
Phoenix 17
Zhengzhou 17
Chengdu 16
Berlin 15
Kunming 15
Medellín 15
Minneapolis 15
Hanover 14
Nanchang 14
Pognana Lario 14
Shenzhen 14
Tokyo 14
Padova 13
Parma 13
Seoul 13
Wuhan 13
Atlanta 12
Bucaramanga 12
Catania 12
Moscow 12
Pau 12
Pavia 12
Settimo Torinese 12
Bath 11
Bremen 11
Jakarta 11
Shanghai 11
Totale 33652
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Nome #
MOLDRAW: a program to display and manipulate molecular and crystalline structures 3921
Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments 464
Ipotesi chimica sull'origine della vita: dal big bang ai primi esseri viventi 296
DFT Modeling of 45S5 and 77S Soda-Lime Phospho-Silicate Glass Surfaces: Clues on Different Bioactivity Mechanism 255
Large-Scale B3LYP Simulations of Ibuprofen Adsorbed in MCM-41 Mesoporous Silica as Drug Delivery System 248
Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as a Model for Biomaterial Interfaces 233
Role of dispersive interactions in the CO adsorption on MgO(001): periodic B3LYP calculations augmented with an empirical dispersion term 226
Effects of metastability on hydrogen sorption in fluorine substituted hydrides 224
Silica-based materials as drug adsorbents: First principle investigation on the role of water microsolvation on ibuprofen adsorption 223
CO32–Mobility in Carbonate Apatite As Revealed by Density Functional Modeling 220
A new massively parallel version of CRYSTAL for large systems on High Performance Computing Architectures 219
Periodic ab initio bulk investigation of hydroxylapatite and type A carbonated apatite with both pseudopotential and all-electron basis sets for calcium atoms 213
COMPUTATIONAL STUDY OF INTERSTELLAR GLYCINE FORMATION OCCURRING AT RADICAL SURFACES OF WATER-ICE DUST PARTICLES 212
Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study 212
Modellizzazione ab initio dell’interazione tra biomolecole e le superfici di idrossiapatite 211
Synthesis and Structural Investigation of Zr(BH4)(4) 211
Combined quantum chemical and modeling study of CO hydrogenation on water ice 209
Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with bio-molecules 208
Simulation and Experiment Reveal a Complex Scenario for the Adsorption of an Antifungal Drug in Ordered Mesoporous Silica 204
Vibrational Properties of MBH(4) and MBF(4) Crystals (M = Li, Na, K): A Combined DFT, Infrared, and Raman Study 203
Halide substitution in Ca(BH4)2 203
Glycine Adsorption at Nonstoichiometric (010) Hydroxyapatite Surfaces: A B3LYP Study 202
MOLDRAW. Molecular graphics on a personal computer 201
Revealing Hydroxyapatite Nanoparticle Surface Structure by CO Adsorption: A Combined B3LYP and Infrared Study 199
Theoretical and experimental study of LiBH4-LiCl solid solution 197
Atomistic model of micelle-templated mesoporous silicas: structural, morphological and adsorption properties 196
Does Dispersion Dominate over H-Bonds in Drug–Surface Interactions? The Case of Silica-Based Materials As Excipients and Drug-Delivery Agents 196
Coordination chemistry of Ca sites at the surface of nanosized hydroxyapatite: interaction with H2O and CO 193
The vibrational features of hydroxylapatite and type A carbonated apatite: A first principle contribution 191
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 190
Probing the fate of interstitial water in bulk bioactive glass by ab-initio simulations 189
Interstellar H adsorption and H2 formation on the crystalline (010) forsterite surface: a B3LYP-D2* periodic study 187
B3LYP Periodic Study of the Physicochemical Properties of the Nonpolar (010) Mg-Pure and Fe-Containing Olivine Surfaces 187
NATURE AND STRUCTURE OF THE HYDRATED LAYER AT THESURFACE OF NANOSIZED HYDROXYAPATITE 186
Does Adsorption at Hydroxyapatite Surfaces Induce Peptide Folding? Insights from Large-Scale B3LYP Calculations 183
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. 181
AB-INITIO QM STUDY ON HYDROXYAPATITE (001) AND (100) SURFACES 179
A computational study of thermodynamic properties of M-H-F systems for hydrogen storage applications 174
A Computational Multiscale Approach to the Modeling of dynamical properties of 45S5 Bioglass® 174
Theoretical Study of the Adsorption of RNA Bases on a Surface of Na+-Montmorillonite 174
Vibrational spectrum of brucite, Mg(OH)2: a periodic ab initio quantum mechanical calculation including OH anharmonicity 173
Comparison of different approaches to the study of local defects in crystals. I. Theoretical considerations and computational schemes 172
Quantum Chemical Calculations of Surfaces and Interfaces of Materials 172
Ab-initio QM study of hydroxyapatite (001) and (010) surfaces in interaction with water 171
Thermodynamic properties of AlH3/AlF3 and MgH2/MgF2 systems as hydrogen storage materials: Acomputational approach 171
Ab initio study of the gas-phase equilibrium between (H2O)4 and (H2O)8 170
DFT investigation of structural and vibrational properties of type B and mixed A-B carbonated hydroxylapatite 169
A periodic ab initio study of the structure and relative stability of silica polymorphs 167
H-chabazite with variable Si/Al ratio: stability and OH vibrational frequency computed in a periodic LCAO B3-LYP approach 167
Role of Calcium Hydroxyapatite in Bioglasses: ab-initio characterization of its Surface Properties. 167
B3LYP simulation of the full vibrational spectrum of 45S5bioactive silicate glass compared to nu-silica 166
Hydroxyls nests in defective silicalites and strained structures derived upon dehydroxylation: vibrational properties and theoretical modelling 164
Structural and chemical properties of the hydroxyapatite surface. A computational ab initio and a microcalorimetric/IR spectroscopic characterization 163
Study of (1-alkoxyethyl)diphenylphosphine oxides. I. Syntheses and structural analyses of phenylethoxy, methoxy and isopentyloxy derivatives. 162
Ab initio study of HCl and HF interaction with crystalline ice. I. Physical adsorption. 161
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 160
A computational multiscale strategy to the study of amorphous materials 160
A quantum mechanical periodic ab initio approach to Materials Science: the CRYSTAL program 160
Interstellar prebiotic formation of glycine delivery to Earth and polymerization on feldspars 160
Vitamin C at 120 K: experimental and theoretical study of the charge density 159
A review of the computational studies of proton- and metal-exchanged chabazites as media for molecular hydrogen storage performed with the CRYSTAL code 159
A quantum mechanical study of the reactivity of (SiO)(2)-defective silica surfaces 159
Surface Properties of Silica-Based Biomaterials: CaSpecies at the Surface of Amorphous Silica As Model Sites 159
A computational study on the effect of fluorine substitution in LiBH4 158
A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case 157
Drug delivery mediated by silica based support: does dispersion dominate over H-bond interactions? 157
Ab-initio modeling of protein/biomaterial interactions: influence of amino acid polar side chains on adsorption at hydroxyapatite surfaces 157
Realistic models of hydroxylated amorphous silica surfaces and MCM-41 mesoporous material simulated by large-scale periodic B3LYP calculations 156
Prebiotic Chemistry 156
Computational Studies of Magnesium and Strontium Substitution in Hydroxyapatite 156
Elastic and Vibrational Properties of alpha- and beta-PbO 155
Elucidating the fundamental forces in protein crystal formation: The case of crambin 155
A Nearly Insulator Nanostructured Porous Silicon becomes either a p or an n-Type Semiconductor upon Gas Adsorption 155
Ab initio modelling of complex systems with MPPcrystal 154
Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with biomolecules 154
Are dispersive forces relevant for CO adsorption on the MgO(001) surface? 153
An ab initio parametrized interatomic force field for hydroxyapatite 153
H-Bond Features of Fully Hydroxylated Surfaces of Crystalline Silica Polymorphs: A Periodic B3LYP Study 153
Ab initio QM study of hydroxyapatite (001) and (100) surfaces 153
Ab Initio Modeling of Protein/Biomaterial Interactions: Glycine Adsorption at Hydroxyapatite Surfaces 153
Hydrogen bond in layered materials: Structural and vibrational properties of kaolinite by a periodic B3LYP approach 152
An in silico Spectroscopic Study of the 45S5 Bioglass® 152
Ab Initio Study of the Adducts of Small Molecules with the Isolated Hydroxyl of Silica and the Bronsted Site in Zeolites: A Comparison between B3-LYP and MP2 Methods 151
Ab initio investigation of the interaction of H2 with lithium exchanged low-silica chabazites 150
Ca SPECIES AT THE SURFACE OF NANOSIZED HYDROXYAPATITE.A COMPUTATIONAL AB INITIO AND A MICROCALORIMETRIC/IRSPECTROSCOPIC STUDY. 150
Ab initio quantum mechanical study of gamma-AlOOH boehimite: structure and vibrational spectrum 150
Vibration frequencies of Mg3Al2Si3O12 pyrope. An ab initio study with the CRYSTAL code 149
Water Adsorption on the Stoichiometric (001) and (010) Surfaces of Hydroxyapatite: A Periodic B3LYP Study 149
Nearly free surface silanols are the critical molecular moieties that initiate the toxicity of silica particles 149
Ab initio study of the adducts of carbon monoxide with alkaline cations 148
Ab initio modeling of layered materials with the CRYSTAL code: an overview 148
Quantum chemical calculations and experimental evidence for O-bonding of carbon monoxide to alkali metal cations in zeolites 148
Methylation of phenol over high-silica beta zeolite:Effect of zeolite acidity and crystal size on catalyst behaviour 147
Affinity of hydroxyapatite (001) and (010) surfaces to formic and alendronic acids: a quantum-mechanical and infrared study 147
Cation selectivity in alkali-exchanged chabazite: An ab initio periodic study 147
Hydroxylated crystalline edingtonite silica faces as models for the amorphous silica surface 147
Theoretical Study of Molecular Hydrogen Adsorption in Mg-Exchanged Chabazite 146
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals 146
Thermodynamic Database for Hydrogen Storage Materials 146
In Silico Prebiotic Chemistry: Aluminosilicate Surfaces As Promoters for the Peptide Bond Formation 146
Totale 21588
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Categoria #
all - tutte 69988
article - articoli 0
book - libri 0
conference - conferenze 9984
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 79972
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2017/201899 0000 00 00 00099
2018/20192267 8691172108 78266 100297 120164563222
2019/20204633 156170243354 517696 504257 337380892127
2020/20214403 238111251168 297287 340159 4302812061635
2021/202214736 1497132315461887 14871372 14971348 957364655803
2022/20235454 555326175544 5111374 613325 592953440
Totale 45054