CINECA IRIS Institutional Research Information System

CASASSA, Silvia Maria
 Distribuzione geografica
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Continente #
NA - Nord America 6.142
AS - Asia 3.465
EU - Europa 3.464
SA - Sud America 555
AF - Africa 83
OC - Oceania 56
Continente sconosciuto - Info sul continente non disponibili 1
Totale 13.766
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Nazione #
US - Stati Uniti d'America 5.969
SG - Singapore 1.345
IT - Italia 1.074
CN - Cina 917
BR - Brasile 443
VN - Vietnam 393
DE - Germania 375
SE - Svezia 313
IE - Irlanda 302
FR - Francia 262
UA - Ucraina 215
FI - Finlandia 186
HK - Hong Kong 175
GB - Regno Unito 155
KR - Corea 149
NL - Olanda 145
PL - Polonia 125
IN - India 120
CA - Canada 104
DK - Danimarca 77
BD - Bangladesh 60
RU - Federazione Russa 60
ID - Indonesia 56
JP - Giappone 56
AU - Australia 54
AR - Argentina 45
MX - Messico 45
AT - Austria 33
ES - Italia 31
IQ - Iraq 26
PH - Filippine 23
BE - Belgio 22
TR - Turchia 21
CL - Cile 18
VE - Venezuela 18
PK - Pakistan 17
DZ - Algeria 16
MA - Marocco 13
TN - Tunisia 13
CO - Colombia 12
KZ - Kazakistan 12
PT - Portogallo 12
ZA - Sudafrica 12
JM - Giamaica 11
KE - Kenya 10
AE - Emirati Arabi Uniti 9
CH - Svizzera 9
HR - Croazia 9
JO - Giordania 9
NP - Nepal 9
UZ - Uzbekistan 9
CZ - Repubblica Ceca 7
LT - Lituania 7
RO - Romania 7
RS - Serbia 7
SA - Arabia Saudita 7
SK - Slovacchia (Repubblica Slovacca) 7
AZ - Azerbaigian 6
EC - Ecuador 6
MY - Malesia 6
PY - Paraguay 6
IL - Israele 5
PE - Perù 5
TW - Taiwan 5
CY - Cipro 4
GR - Grecia 4
IR - Iran 4
EG - Egitto 3
GE - Georgia 3
LV - Lettonia 3
NO - Norvegia 3
OM - Oman 3
TH - Thailandia 3
AL - Albania 2
BA - Bosnia-Erzegovina 2
BG - Bulgaria 2
BY - Bielorussia 2
CM - Camerun 2
CR - Costa Rica 2
EE - Estonia 2
ET - Etiopia 2
GP - Guadalupe 2
HN - Honduras 2
LB - Libano 2
LK - Sri Lanka 2
MN - Mongolia 2
MR - Mauritania 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
PS - Palestinian Territory 2
RE - Reunion 2
SD - Sudan 2
SV - El Salvador 2
BH - Bahrain 1
BO - Bolivia 1
CD - Congo 1
CI - Costa d'Avorio 1
DO - Repubblica Dominicana 1
EU - Europa 1
HU - Ungheria 1
Totale 13.752
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Città #
Singapore 719
Ann Arbor 654
Beijing 479
Santa Clara 452
San Jose 426
Ashburn 402
Chandler 392
Dublin 300
Fairfield 230
Wilmington 197
Houston 195
Milan 181
Hong Kong 153
Turin 139
Jacksonville 130
Los Angeles 114
Woodbridge 109
The Dalles 103
Warsaw 99
Ho Chi Minh City 94
Frankfurt am Main 89
Torino 89
Dearborn 88
Villeurbanne 87
Columbus 86
Cambridge 85
Princeton 85
Dallas 84
Seattle 84
Lauterbourg 82
Rome 82
Pisa 79
Hefei 77
Hanoi 75
Buffalo 73
New York 71
Amsterdam 66
Boston 62
Dong Ket 60
Medford 58
Nyköping 58
Seoul 57
São Paulo 46
Council Bluffs 42
Jakarta 41
Munich 39
Toronto 36
Fremont 33
Redwood City 32
Helsinki 29
Boardman 27
Mexico City 27
Sydney 24
Bengaluru 22
San Diego 22
Tokyo 22
Nuremberg 21
Collegno 20
Phoenix 20
Chennai 19
Vienna 19
Montreal 18
Atlanta 17
East Lansing 17
Stockholm 17
Brooklyn 16
London 16
Orem 16
Redondo Beach 16
Rio de Janeiro 16
Denver 15
Florence 15
Hangzhou 15
Naples 15
Shanghai 15
Verona 15
Chicago 14
Kunming 14
Paris 14
Brussels 13
Da Nang 13
Norwalk 13
Washington 13
Bologna 12
Düsseldorf 12
Falls Church 12
Madrid 12
Porto Alegre 12
San Mauro Torinese 12
Baghdad 11
Guangzhou 11
Hải Dương 11
Melbourne 11
Figino 10
Houghton 10
San Mateo 10
Astana 9
Biên Hòa 9
Brasília 9
Canberra 9
Totale 8.301
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Nome #
CRYSTAL23 583
TOPOND14 User's Manual 522
Cryscor: a program for the post-Hartree-Fock treatment of periodic systems 458
Quantum-mechanical condensed matter simulations with CRYSTAL 458
CRYSTAL14: A Program for the Ab initio Investigation of Crystalline Solids 445
CRYSTAL17 349
Investigation on the Decomposition Enthalpy of Novel Mixed Mg(1–x)Znx(BH4)2Borohydrides by Means of Periodic DFT Calculations 304
Ab initio study of HCl and HF interaction with crystalline ice. I. Physical adsorption. 244
Ab-iniito study of HCl and HF interaction with crystalline Ice 241
Ab initio investigation of electronic and vibrational contributions to linear and nonlinear dielectric properties of ice 233
Calibration of (57)Fe Mössbauer constants by first principles 216
Electron density analysis of large (molecular and periodic) systems: A parallel implementation 208
Experimental and first-principles IR characterization of quercetin adsorbed on a silica surface 207
Structural, Electronic, Vibrational, and Topological Analysis of Single-Walled Zinc Oxide Nanotubes 206
Beyond a single-determinantal description of the density matrix of periodic systems: Experimental versus theoretical Compton profiles of crystalline silicon 200
Quantum Mechanical Ab Initio Characterization of a Simple Periodic Model of the Silica Surface. 199
Ab initio investigation of the affinity of novel bipyrazolate-based MOFs towards H2and CO2 193
Approaching an exact treatment of electronic correlations at solid surfaces: The binding energy of the lowest bound state of helium adsorbed on MgO(100) 189
Proton-ordered ice structures at zero pressure. A quantum-mechanical investigation 185
Proton-ordered models of ordinary ice for quantum-mechanical studies 183
CRYSCOR09 181
Electron correlation decides the stability of cubic versus hexagonal boron nitride. 173
Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals 167
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry 166
A post-Hartree–Fock study of pressure-induced phase transitions in solid nitrogen: The case of the α, γ, and ε low-pressure phases 159
Diffraction of helium on MgO(100) surface calculated from first-principles 159
Beyond a Hartree-Fock description of crystalline solids: the case of lithium hydride 157
How strong are H-bonds at the fully hydroxylated silica surfaces? Insights from the B3LYP electron density topological analysis 156
Atomic-hydrogen interaction with metallic lithium: An ab-initio embedded-cluster study 149
Adsorption of NH3with Different Coverages on Single-Walled ZnO Nanotube: DFT and QTAIM Study 147
A local MP2 periodic study of crystalline Argon 145
Hirshfeld-I charges in linear combination of atomic orbitals periodic calculations 145
Ab initio simulation of oxygen vacancy bistability in pure and Ge-doped alpha-quartz. 144
Combined DFT-D3 Computational and Experimental Studies on g-C3N4: New Insight into Structure, Optical, and Vibrational Properties 142
Density Fitting for correlated calculations in periodic systems 142
Pressure-induced transitions in solid nitrogen: Role of dispersive interactions. 142
CRYSTAL and EMBED, two computational tools for the ab-initio study of the electronic properties of crystals. 139
Roadmap on thermoelectricity 136
Relative energy of Aluminium Hydroxides: the role of electron correlation. 133
Local MP2 periodic study of rare-gas crystals 131
Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals 130
A local-MP2 approach to the ab initio study of electron correlation in crystals and to the simulation of vibrational spectra: the case of Ice XI 129
A quantum-mechanical investigation of oxygen vacancies and copper doping in the orthorhombic CaSnO3 perovskite 129
Periodic local-MP2 computational study of crystalline neon 128
Topology of the electron density and of its laplacian from periodic lcao calculations on f-electron materials: The case of cesium uranyl chloride 128
IR spectral fingerprint of carbon monoxide in interstellar water-ice models 127
Experimental and computational study of the role of defects and secondary phases on the thermoelectric properties of TiNi1+xSn (0 ≤x≤ 0.12) half Heusler compounds 126
Anisotropy of the electron momentum distribution in alpha-quartz investigated by Compton scattering and ab initio simulation 126
Oxide/metal interface distance epitaxial strain in the NiO/Ag(001) system 125
Periodic ab initio estimates of the dispersive interaction between molecular nitrogen and a monolayer of hexagonal BN. 125
CRYSTAL and EMBED, two computational tools for the ab-initio study of electronic properties of crystal. 122
From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor 116
Structural magnetic and electronic properties of NiO monolayer epitaxially grown on the (001) Ag surface: an ab initio density functional study 116
Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms 113
Quasi-periodic ab-initio models in material science: the case of oxygen deficient centres in optical fibers 113
Computational aspects of a local-MP2 treatment of electron correlation in periodic systems: SiC vs BeS 113
Ab Initio Modeling of MultiWall: A General Algorithm First Applied to Carbon Nanotubes 112
Ion Conductivity in a Magnesium Borohydride Ammonia Borane Solid-State Electrolyte 111
Key Role of Defects in Thermoelectric Performance of TiMSn (M = Ni, Pd, and Pt) Half-Heusler Alloys 110
Periodic Local MP2 Method for the Study of Electronic Correlation in Crystals: Theory and Preliminary Applications 109
Accelerated linear algebra for large scale DFT calculations of materials on CPU/GPU architectures with CRYSTAL 104
Periodic density functional theory and local-MP2 study of the librational modes of Ice XI 104
Fast inertial relaxation engine in the CRYSTAL code 102
Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials 100
Ab-initio study of periodic Ice surfaces containing HCl. 94
Born–Oppenheimer Molecular Dynamics with a Linear Combination of Atomic Orbitals and Hybrid Functionals for Condensed Matter Simulations Made Possible. Theory and Performance for the Microcanonical and Canonical Ensembles 93
Stability and Formation of the Li3PS4/Li, Li3PS4/Li2S, and Li2S/Li Interfaces: A Theoretical Study 91
Investigation on the interconversion from DMF-solvated to unsolvated copper(ii) pyrazolate coordination polymers 91
EMBED01 90
EMBED96 88
Proton ordered cubic and hexagonal periodic models of ordinary Ice 87
Energy estimates for local chemica processes in condensed matter. 84
MP2 versus density-functional theory study of the Compton profiles of crystalline urea 84
Polar and non polar domain borders in MgO ultrathin films on Ag(001) 82
Interaction of HOCl with a chlorinated ice surface to produce molecular chlorine: an ab initio study 82
The effect of long-range order on intermolecular interactions in organic semiconductors: Zinc octaethyl porphyrin molecular thin film model systems 82
Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal 79
Local-MP2 electron correlation method for non conducting crystal 78
Computational simulations of ZnO@GaN and GaN@ZnO core@shell nanotubes 78
AlGaN double-walled nanotubes as ammonia gas sensor 77
CH3-Tagged Bis(pyrazolato)-Based Coordination Polymers and Metal-Organic Frameworks: An Experimental and Theoretical Insight 77
Electronic structure and morphology of MgO sub-monolayers at the Ag(001) surface: an ab-initio model study 75
On the Prospective Use of the One-Electron Density Matrix as a test of the Quality of Post-Hartree-Fock Schemes for Crystals 75
Modeling of BN-Doped Carbon Nanotube as High-Performance Thermoelectric Materials 75
Crucial Role of Ni Point Defects and Sb Doping for Tailoring the Thermoelectric Properties of ZrNiSn Half-Heusler Alloy: An Ab Initio Study 74
Symmetry-adapted Localized Wannier Functions suitable for periodic local correlation methods 74
He-atom scattering from MgO(100): calculating diffraction peak intensities with a semi ab initio potential 74
Embedded-cluster ab-initio study of the neutral oxygen vacancy in quartz and cristobalite. 73
DFT and Local-MP2 Periodic Study of the Structure and Stability of Two Proton-Ordered Polymorphs of Ice 73
Piezoelectricity induced by gaseous molecules adsorbed on ZnO nanotubes 69
The Electron-Density Distribution of UCl4 and Its Topology from X-ray Diffraction 61
Hartree-Fock Perturbed-Cluster Treatment of local defects in Solids. II. The energy dependent coupling matrices. 60
Periodic quantum mechanical simulation of the He–MgO(100) interaction potential 60
Effect of in content on thermoelectric performance of InxGa1−xN alloys: Hybrid density functional theory study based on realistic models 57
Piezoelectric, elastic, Infrared and Raman behavior of ZnO wurtzite under pressure from periodic DFT calculations 52
Nudged elastic band method in the CRYSTAL code: Theory and Applications 41
Totale 14.084
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Categoria #
all - tutte 41.192
article - articoli 0
book - libri 0
conference - conferenze 471
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 41.663
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.213 79 74 83 152 92 66 112 90 61 70 161 173
2022/20231.277 135 75 33 140 117 306 166 75 124 17 59 30
2023/2024775 91 112 44 63 85 83 73 43 15 42 45 79
2024/20252.121 17 114 74 184 565 152 50 85 249 111 201 319
2025/20265.023 405 209 273 547 507 242 581 269 391 533 261 805
2026/202771 71 0 0 0 0 0 0 0 0 0 0 0
Totale 14.084