CINECA IRIS Institutional Research Information System

UGLIENGO, Piero
 Distribuzione geografica
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Continente #
NA - Nord America 32.707
EU - Europa 12.843
AS - Asia 4.653
SA - Sud America 396
AF - Africa 133
OC - Oceania 66
Continente sconosciuto - Info sul continente non disponibili 26
Totale 50.824
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Nazione #
US - Stati Uniti d'America 32.439
IT - Italia 4.800
CN - Cina 2.033
DE - Germania 1.479
SG - Singapore 1.278
IE - Irlanda 1.176
SE - Svezia 990
FR - Francia 977
UA - Ucraina 746
FI - Finlandia 641
GB - Regno Unito 484
KR - Corea 444
PL - Polonia 365
NL - Olanda 345
ES - Italia 300
VN - Vietnam 237
IN - India 173
CA - Canada 161
BR - Brasile 150
ID - Indonesia 124
RU - Federazione Russa 114
CL - Cile 108
JP - Giappone 104
MX - Messico 104
CO - Colombia 69
BE - Belgio 56
HK - Hong Kong 52
TH - Thailandia 52
DK - Danimarca 50
AT - Austria 49
AR - Argentina 45
SK - Slovacchia (Repubblica Slovacca) 45
AU - Australia 43
SN - Senegal 39
CH - Svizzera 36
GR - Grecia 34
PT - Portogallo 32
TR - Turchia 32
NG - Nigeria 27
EU - Europa 25
HU - Ungheria 23
NZ - Nuova Zelanda 23
MY - Malesia 21
TN - Tunisia 20
IR - Iran 18
PH - Filippine 18
EG - Egitto 17
TW - Taiwan 17
CZ - Repubblica Ceca 16
DZ - Algeria 15
RO - Romania 15
NO - Norvegia 14
IS - Islanda 12
PK - Pakistan 12
UZ - Uzbekistan 10
IL - Israele 9
MA - Marocco 9
EC - Ecuador 8
HR - Croazia 8
RS - Serbia 8
LT - Lituania 7
PE - Perù 7
BG - Bulgaria 5
JO - Giordania 5
MK - Macedonia 5
UY - Uruguay 5
VE - Venezuela 4
ZA - Sudafrica 4
BA - Bosnia-Erzegovina 3
BY - Bielorussia 3
KZ - Kazakistan 3
SA - Arabia Saudita 3
LK - Sri Lanka 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
HN - Honduras 1
IQ - Iraq 1
LU - Lussemburgo 1
LV - Lettonia 1
MM - Myanmar 1
MO - Macao, regione amministrativa speciale della Cina 1
OM - Oman 1
SI - Slovenia 1
TZ - Tanzania 1
Totale 50.824
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Città #
Ann Arbor 14.383
Wilmington 1.869
Ashburn 1.607
Chandler 1.473
Beijing 1.430
Houston 1.343
Torino 1.216
Dublin 1.163
Singapore 1.015
Fremont 984
Dearborn 843
Santa Clara 797
Fairfield 612
Woodbridge 559
Munich 523
Turin 517
Buffalo 462
Jacksonville 450
Princeton 361
Villeurbanne 347
Milan 329
Columbus 307
Seattle 307
Warsaw 288
Redwood City 266
Medford 265
Nyköping 250
Boston 217
Pisa 207
Cambridge 191
Dong Ket 180
Barcelona 131
Jakarta 120
Piemonte 100
Helsinki 94
Verona 93
Phoenix 81
Guangzhou 80
Bologna 76
Norwalk 69
Boardman 68
Dallas 64
Trieste 63
Scuola 60
Santiago 59
Rome 57
Los Angeles 53
Toronto 51
Falls Church 49
San Diego 49
Des Moines 43
Lachine 42
Nanjing 39
Perugia 39
Frankfurt am Main 38
Grenoble 38
Mountain View 37
Vienna 37
Hefei 34
Paris 34
Florence 33
Hangzhou 32
New York 32
Ottawa 32
Modena 31
Napoli 30
Pune 28
Brussels 26
Novara 26
San Mauro Torinese 26
Shanghai 26
Bratislava 25
London 25
Tokyo 24
Mexico 23
Abuja 22
Hebei 22
Venezia 22
Hong Kong 21
Melipilla 21
Jinan 20
Washington 20
Zhengzhou 20
Berlin 19
Chengdu 18
Madrid 18
Medellín 18
Council Bluffs 17
Düsseldorf 17
Nuremberg 17
Catania 16
Hanover 16
Kunming 16
Nanchang 16
Shenzhen 16
Wuhan 16
Minneapolis 15
Moscow 15
Padova 15
Atlanta 14
Totale 37.425
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Nome #
MOLDRAW: a program to display and manipulate molecular and crystalline structures 4.555
Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments 537
Ipotesi chimica sull'origine della vita: dal big bang ai primi esseri viventi 371
Large-Scale B3LYP Simulations of Ibuprofen Adsorbed in MCM-41 Mesoporous Silica as Drug Delivery System 290
DFT Modeling of 45S5 and 77S Soda-Lime Phospho-Silicate Glass Surfaces: Clues on Different Bioactivity Mechanism 279
Silica-based materials as drug adsorbents: First principle investigation on the role of water microsolvation on ibuprofen adsorption 266
Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as a Model for Biomaterial Interfaces 263
CO32–Mobility in Carbonate Apatite As Revealed by Density Functional Modeling 251
Role of dispersive interactions in the CO adsorption on MgO(001): periodic B3LYP calculations augmented with an empirical dispersion term 249
Modellizzazione ab initio dell’interazione tra biomolecole e le superfici di idrossiapatite 240
A new massively parallel version of CRYSTAL for large systems on High Performance Computing Architectures 240
Simulation and Experiment Reveal a Complex Scenario for the Adsorption of an Antifungal Drug in Ordered Mesoporous Silica 240
Effects of metastability on hydrogen sorption in fluorine substituted hydrides 239
Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study 237
Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with bio-molecules 232
Periodic ab initio bulk investigation of hydroxylapatite and type A carbonated apatite with both pseudopotential and all-electron basis sets for calcium atoms 231
Synthesis and Structural Investigation of Zr(BH4)(4) 229
Vibrational Properties of MBH(4) and MBF(4) Crystals (M = Li, Na, K): A Combined DFT, Infrared, and Raman Study 228
Revealing Hydroxyapatite Nanoparticle Surface Structure by CO Adsorption: A Combined B3LYP and Infrared Study 228
COMPUTATIONAL STUDY OF INTERSTELLAR GLYCINE FORMATION OCCURRING AT RADICAL SURFACES OF WATER-ICE DUST PARTICLES 227
Glycine Adsorption at Nonstoichiometric (010) Hydroxyapatite Surfaces: A B3LYP Study 227
Combined quantum chemical and modeling study of CO hydrogenation on water ice 226
NATURE AND STRUCTURE OF THE HYDRATED LAYER AT THESURFACE OF NANOSIZED HYDROXYAPATITE 223
MOLDRAW. Molecular graphics on a personal computer 221
Coordination chemistry of Ca sites at the surface of nanosized hydroxyapatite: interaction with H2O and CO 220
Does Dispersion Dominate over H-Bonds in Drug–Surface Interactions? The Case of Silica-Based Materials As Excipients and Drug-Delivery Agents 219
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 216
A Computational Multiscale Approach to the Modeling of dynamical properties of 45S5 Bioglass® 214
Theoretical and experimental study of LiBH4-LiCl solid solution 214
Halide substitution in Ca(BH4)2 213
Probing the fate of interstitial water in bulk bioactive glass by ab-initio simulations 211
Atomistic model of micelle-templated mesoporous silicas: structural, morphological and adsorption properties 210
Thermodynamic properties of AlH3/AlF3 and MgH2/MgF2 systems as hydrogen storage materials: Acomputational approach 209
The vibrational features of hydroxylapatite and type A carbonated apatite: A first principle contribution 207
A computational study of thermodynamic properties of M-H-F systems for hydrogen storage applications 206
B3LYP Periodic Study of the Physicochemical Properties of the Nonpolar (010) Mg-Pure and Fe-Containing Olivine Surfaces 206
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. 206
AB-INITIO QM STUDY ON HYDROXYAPATITE (001) AND (100) SURFACES 204
Ab-initio QM study of hydroxyapatite (001) and (010) surfaces in interaction with water 204
Interstellar H adsorption and H2 formation on the crystalline (010) forsterite surface: a B3LYP-D2* periodic study 201
Quantum Chemical Calculations of Surfaces and Interfaces of Materials 198
Does Adsorption at Hydroxyapatite Surfaces Induce Peptide Folding? Insights from Large-Scale B3LYP Calculations 198
Theoretical Study of the Adsorption of RNA Bases on a Surface of Na+-Montmorillonite 197
A computational study on the effect of fluorine substitution in LiBH4 195
A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case 192
Structural and chemical properties of the hydroxyapatite surface. A computational ab initio and a microcalorimetric/IR spectroscopic characterization 192
Comparison of different approaches to the study of local defects in crystals. I. Theoretical considerations and computational schemes 189
H-chabazite with variable Si/Al ratio: stability and OH vibrational frequency computed in a periodic LCAO B3-LYP approach 189
Interstellar prebiotic formation of glycine delivery to Earth and polymerization on feldspars 188
B3LYP simulation of the full vibrational spectrum of 45S5bioactive silicate glass compared to nu-silica 187
Vibrational spectrum of brucite, Mg(OH)2: a periodic ab initio quantum mechanical calculation including OH anharmonicity 186
Study of (1-alkoxyethyl)diphenylphosphine oxides. I. Syntheses and structural analyses of phenylethoxy, methoxy and isopentyloxy derivatives. 186
Ab initio study of the gas-phase equilibrium between (H2O)4 and (H2O)8 185
Ab initio study of HCl and HF interaction with crystalline ice. I. Physical adsorption. 184
An in silico Spectroscopic Study of the 45S5 Bioglass® 184
Drug delivery mediated by silica based support: does dispersion dominate over H-bond interactions? 184
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 183
Role of Calcium Hydroxyapatite in Bioglasses: ab-initio characterization of its Surface Properties. 183
Hydroxyls nests in defective silicalites and strained structures derived upon dehydroxylation: vibrational properties and theoretical modelling 182
Nearly free surface silanols are the critical molecular moieties that initiate the toxicity of silica particles 182
Ab-initio modeling of protein/biomaterial interactions: influence of amino acid polar side chains on adsorption at hydroxyapatite surfaces 182
A review of the computational studies of proton- and metal-exchanged chabazites as media for molecular hydrogen storage performed with the CRYSTAL code 180
DFT investigation of structural and vibrational properties of type B and mixed A-B carbonated hydroxylapatite 180
A Nearly Insulator Nanostructured Porous Silicon becomes either a p or an n-Type Semiconductor upon Gas Adsorption 180
A periodic ab initio study of the structure and relative stability of silica polymorphs 179
A quantum mechanical periodic ab initio approach to Materials Science: the CRYSTAL program 179
A quantum mechanical study of the reactivity of (SiO)(2)-defective silica surfaces 179
Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with biomolecules 179
Prebiotic Chemistry 179
Elucidating the fundamental forces in protein crystal formation: The case of crambin 179
Surface Properties of Silica-Based Biomaterials: CaSpecies at the Surface of Amorphous Silica As Model Sites 179
A computational multiscale strategy to the study of amorphous materials 178
Realistic models of hydroxylated amorphous silica surfaces and MCM-41 mesoporous material simulated by large-scale periodic B3LYP calculations 178
Assessment of different quantum mechanical methods for the prediction of structure and cohesive energy of molecular crystals 178
Ab initio investigation of the interaction of H2 with lithium exchanged low-silica chabazites 177
An ab initio parametrized interatomic force field for hydroxyapatite 176
Ca SPECIES AT THE SURFACE OF NANOSIZED HYDROXYAPATITE.A COMPUTATIONAL AB INITIO AND A MICROCALORIMETRIC/IRSPECTROSCOPIC STUDY. 176
Ab initio modelling of complex systems with MPPcrystal 176
Ab initio quantum mechanical study of gamma-AlOOH boehimite: structure and vibrational spectrum 175
Vitamin C at 120 K: experimental and theoretical study of the charge density 174
H-Bond Features of Fully Hydroxylated Surfaces of Crystalline Silica Polymorphs: A Periodic B3LYP Study 174
Ab initio QM study of hydroxyapatite (001) and (100) surfaces 174
Elastic and Vibrational Properties of alpha- and beta-PbO 174
Affinity of hydroxyapatite (001) and (010) surfaces to formic and alendronic acids: a quantum-mechanical and infrared study 171
Computational Studies of Magnesium and Strontium Substitution in Hydroxyapatite 171
Are dispersive forces relevant for CO adsorption on the MgO(001) surface? 169
Ab Initio Modeling of Protein/Biomaterial Interactions: Glycine Adsorption at Hydroxyapatite Surfaces 169
Ab initio modeling of layered materials with the CRYSTAL code: an overview 169
Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level 168
Hydroxylated crystalline edingtonite silica faces as models for the amorphous silica surface 168
Theoretical Study of Molecular Hydrogen Adsorption in Mg-Exchanged Chabazite 166
Ab initio study of the adducts of carbon monoxide with alkaline cations 166
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals 166
Water Adsorption on the Stoichiometric (001) and (010) Surfaces of Hydroxyapatite: A Periodic B3LYP Study 166
First Principles Prediction of Structural, Vibrational and Thermodynamic Properties of Mixed Metal Hydrides and Fluorides 166
Thermodynamic Tuning of Calcium Hydride by Fluorine Substitution 165
Cation selectivity in alkali-exchanged chabazite: An ab initio periodic study 164
Methylation of phenol over high-silica beta zeolite:Effect of zeolite acidity and crystal size on catalyst behaviour 163
Trigonometric series expansion of projected densities of states 163
A new route to the surface functionalization of porous silicon 162
Totale 24.570
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Categoria #
all - tutte 128.399
article - articoli 0
book - libri 0
conference - conferenze 18.041
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 146.440
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20202.503 0 0 0 0 0 0 505 257 337 382 895 127
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
2024/20253.626 114 424 241 632 1.696 416 103 0 0 0 0 0
Totale 51.995