CINECA IRIS Institutional Research Information System

CASASSA, Silvia Maria
 Distribuzione geografica
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Continente #
NA - Nord America 3.581
EU - Europa 2.241
AS - Asia 840
SA - Sud America 51
AF - Africa 19
OC - Oceania 15
Continente sconosciuto - Info sul continente non disponibili 1
Totale 6.748
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Nazione #
US - Stati Uniti d'America 3.547
CN - Cina 440
IT - Italia 418
IE - Irlanda 305
SE - Svezia 294
DE - Germania 271
UA - Ucraina 201
FI - Finlandia 156
FR - Francia 149
PL - Polonia 108
SG - Singapore 103
VN - Vietnam 102
KR - Corea 94
NL - Olanda 92
GB - Regno Unito 79
DK - Danimarca 75
BR - Brasile 34
CA - Canada 27
RU - Federazione Russa 27
HK - Hong Kong 26
IN - India 24
BE - Belgio 18
JP - Giappone 17
AU - Australia 15
AT - Austria 10
PH - Filippine 10
DZ - Algeria 7
ES - Italia 7
MX - Messico 7
VE - Venezuela 7
CO - Colombia 5
CZ - Repubblica Ceca 5
PT - Portogallo 5
RO - Romania 5
CH - Svizzera 4
CL - Cile 4
PK - Pakistan 4
TN - Tunisia 4
TW - Taiwan 4
ID - Indonesia 3
NO - Norvegia 3
TR - Turchia 3
CM - Camerun 2
HR - Croazia 2
IR - Iran 2
LT - Lituania 2
NG - Nigeria 2
SA - Arabia Saudita 2
SD - Sudan 2
SK - Slovacchia (Repubblica Slovacca) 2
AR - Argentina 1
BD - Bangladesh 1
EU - Europa 1
GR - Grecia 1
HU - Ungheria 1
JO - Giordania 1
LU - Lussemburgo 1
MA - Marocco 1
MN - Mongolia 1
NP - Nepal 1
TH - Thailandia 1
UZ - Uzbekistan 1
ZA - Sudafrica 1
Totale 6.748
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Città #
Ann Arbor 655
Chandler 399
Beijing 316
Dublin 303
Fairfield 234
Wilmington 201
Houston 188
Ashburn 176
Jacksonville 131
Woodbridge 110
Torino 91
Dearborn 89
Princeton 88
Warsaw 88
Villeurbanne 87
Cambridge 86
Seattle 78
Pisa 76
Dong Ket 64
Medford 62
Nyköping 60
Singapore 57
Frankfurt am Main 52
Boston 51
Turin 47
Amsterdam 40
Fremont 32
Redwood City 31
Milan 30
San Diego 21
Buffalo 20
Boardman 19
Munich 19
Helsinki 16
Hong Kong 14
Kunming 14
Toronto 14
Falls Church 13
Brussels 12
Hangzhou 12
Norwalk 12
San Mauro Torinese 12
Phoenix 11
Hefei 10
Hebei 9
Vienna 9
Guangzhou 8
João Pessoa 8
Düsseldorf 7
London 7
Moncalieri 7
Nanjing 7
Pune 7
Verona 7
Alessandria 6
Berlin 6
Montréal 6
Mountain View 6
Padova 6
Polska 6
Sydney 6
Bologna 5
Jinan 5
Medellín 5
Nanchang 5
Oran 5
Paris 5
Stuttgart 5
São Paulo 5
Barcelona 4
Bloomsbury 4
Bonn 4
Bures-sur-Yvette 4
Edinburgh 4
El Monte 4
Florence 4
Fuzhou 4
Mexico City 4
Monastir 4
Namur 4
New York 4
Nidderau 4
Providence 4
Putney 4
Radomsko 4
Recife 4
Rivoli 4
San Mateo 4
Scuola 4
Settimo Torinese 4
Southwark 4
Washington 4
West Jordan 4
Zoetermeer 4
Aarhus 3
Chelyabinsk 3
Chongqing 3
Cumaná 3
Curitiba 3
Dallas 3
Totale 4.417
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Nome #
TOPOND14 User's Manual 405
Cryscor: a program for the post-Hartree-Fock treatment of periodic systems 340
CRYSTAL14: A Program for the Ab initio Investigation of Crystalline Solids 323
CRYSTAL17 247
Investigation on the Decomposition Enthalpy of Novel Mixed Mg(1–x)Znx(BH4)2Borohydrides by Means of Periodic DFT Calculations 224
Ab initio study of HCl and HF interaction with crystalline ice. I. Physical adsorption. 171
CRYSTAL23 153
Quantum-mechanical condensed matter simulations with CRYSTAL 150
Proton-ordered models of ordinary ice for quantum-mechanical studies 142
Ab-iniito study of HCl and HF interaction with crystalline Ice 138
Ab initio investigation of electronic and vibrational contributions to linear and nonlinear dielectric properties of ice 136
Quantum Mechanical Ab Initio Characterization of a Simple Periodic Model of the Silica Surface. 134
Experimental and first-principles IR characterization of quercetin adsorbed on a silica surface 133
Proton-ordered ice structures at zero pressure. A quantum-mechanical investigation 132
Calibration of (57)Fe Mössbauer constants by first principles 132
Structural, Electronic, Vibrational, and Topological Analysis of Single-Walled Zinc Oxide Nanotubes 128
Beyond a single-determinantal description of the density matrix of periodic systems: Experimental versus theoretical Compton profiles of crystalline silicon 123
Ab initio investigation of the affinity of novel bipyrazolate-based MOFs towards H2and CO2 122
Electron density analysis of large (molecular and periodic) systems: A parallel implementation 120
Approaching an exact treatment of electronic correlations at solid surfaces: The binding energy of the lowest bound state of helium adsorbed on MgO(100) 117
How strong are H-bonds at the fully hydroxylated silica surfaces? Insights from the B3LYP electron density topological analysis 103
Pressure-induced transitions in solid nitrogen: Role of dispersive interactions. 101
Electron correlation decides the stability of cubic versus hexagonal boron nitride. 99
CRYSCOR09 98
Diffraction of helium on MgO(100) surface calculated from first-principles 93
A post-Hartree–Fock study of pressure-induced phase transitions in solid nitrogen: The case of the α, γ, and ε low-pressure phases 92
Hirshfeld-I charges in linear combination of atomic orbitals periodic calculations 92
Atomic-hydrogen interaction with metallic lithium: An ab-initio embedded-cluster study 89
Beyond a Hartree-Fock description of crystalline solids: the case of lithium hydride 82
Quasi-periodic ab-initio models in material science: the case of oxygen deficient centres in optical fibers 80
CRYSTAL and EMBED, two computational tools for the ab-initio study of the electronic properties of crystals. 77
IR spectral fingerprint of carbon monoxide in interstellar water-ice models 73
Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms 71
CRYSTAL and EMBED, two computational tools for the ab-initio study of electronic properties of crystal. 71
Oxide/metal interface distance epitaxial strain in the NiO/Ag(001) system 70
Structural magnetic and electronic properties of NiO monolayer epitaxially grown on the (001) Ag surface: an ab initio density functional study 69
Ab initio simulation of oxygen vacancy bistability in pure and Ge-doped alpha-quartz. 67
Density Fitting for correlated calculations in periodic systems 66
Anisotropy of the electron momentum distribution in alpha-quartz investigated by Compton scattering and ab initio simulation 66
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 66
Periodic density functional theory and local-MP2 study of the librational modes of Ice XI 62
A local MP2 periodic study of crystalline Argon 61
Periodic ab initio estimates of the dispersive interaction between molecular nitrogen and a monolayer of hexagonal BN. 60
Adsorption of NH3with Different Coverages on Single-Walled ZnO Nanotube: DFT and QTAIM Study 59
Computational aspects of a local-MP2 treatment of electron correlation in periodic systems: SiC vs BeS 57
Periodic local-MP2 computational study of crystalline neon 56
AlGaN double-walled nanotubes as ammonia gas sensor 56
Relative energy of Aluminium Hydroxides: the role of electron correlation. 55
Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals 52
EMBED96 51
EMBED01 50
Ab-initio study of periodic Ice surfaces containing HCl. 47
A quantum-mechanical investigation of oxygen vacancies and copper doping in the orthorhombic CaSnO3 perovskite 46
Periodic Local MP2 Method for the Study of Electronic Correlation in Crystals: Theory and Preliminary Applications 45
CH3-Tagged Bis(pyrazolato)-Based Coordination Polymers and Metal-Organic Frameworks: An Experimental and Theoretical Insight 44
On the Prospective Use of the One-Electron Density Matrix as a test of the Quality of Post-Hartree-Fock Schemes for Crystals 43
Local MP2 periodic study of rare-gas crystals 42
Key Role of Defects in Thermoelectric Performance of TiMSn (M = Ni, Pd, and Pt) Half-Heusler Alloys 41
Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal 39
Polar and non polar domain borders in MgO ultrathin films on Ag(001) 39
Interaction of HOCl with a chlorinated ice surface to produce molecular chlorine: an ab initio study 38
Investigation on the interconversion from DMF-solvated to unsolvated copper(ii) pyrazolate coordination polymers 38
Proton ordered cubic and hexagonal periodic models of ordinary Ice 37
Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals 36
Electronic structure and morphology of MgO sub-monolayers at the Ag(001) surface: an ab-initio model study 36
Symmetry-adapted Localized Wannier Functions suitable for periodic local correlation methods 35
MP2 versus density-functional theory study of the Compton profiles of crystalline urea 35
Local-MP2 electron correlation method for non conducting crystal 33
Embedded-cluster ab-initio study of the neutral oxygen vacancy in quartz and cristobalite. 32
DFT and Local-MP2 Periodic Study of the Structure and Stability of Two Proton-Ordered Polymorphs of Ice 32
Ion Conductivity in a Magnesium Borohydride Ammonia Borane Solid-State Electrolyte 31
On the prospective use of the one-electron density matrix as a test of the quality of post-Hartree-Fock schemes for crystals 31
Computational simulations of ZnO@GaN and GaN@ZnO core@shell nanotubes 31
Ab Initio Modeling of MultiWall: A General Algorithm First Applied to Carbon Nanotubes 29
Hartree-Fock Perturbed-Cluster Treatment of local defects in Solids. II. The energy dependent coupling matrices. 28
Energy estimates for local chemica processes in condensed matter. 28
The effect of long-range order on intermolecular interactions in organic semiconductors: Zinc octaethyl porphyrin molecular thin film model systems 28
He-atom scattering from MgO(100): calculating diffraction peak intensities with a semi ab initio potential 27
From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor 25
Topology of the electron density and of its laplacian from periodic lcao calculations on f-electron materials: The case of cesium uranyl chloride 24
Fast inertial relaxation engine in the CRYSTAL code 24
Periodic quantum mechanical simulation of the He–MgO(100) interaction potential 21
Effect of in content on thermoelectric performance of InxGa1−xN alloys: Hybrid density functional theory study based on realistic models 21
Piezoelectric, elastic, Infrared and Raman behavior of ZnO wurtzite under pressure from periodic DFT calculations 20
Roadmap on thermoelectricity 18
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 18
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry 17
Combined DFT-D3 Computational and Experimental Studies on g-C3N4: New Insight into Structure, Optical, and Vibrational Properties 16
Piezoelectricity induced by gaseous molecules adsorbed on ZnO nanotubes 13
Modeling of BN-Doped Carbon Nanotube as High-Performance Thermoelectric Materials 10
Stability and Formation of the Li3PS4/Li, Li3PS4/Li2S, and Li2S/Li Interfaces: A Theoretical Study 4
Totale 7.016
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Categoria #
all - tutte 20.050
article - articoli 0
book - libri 0
conference - conferenze 232
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 20.282
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.088 32 50 94 145 90 162 120 63 110 89 83 50
2020/2021739 48 30 48 29 55 49 46 37 68 72 68 189
2021/20221.246 79 74 86 152 93 66 119 93 61 70 172 181
2022/20231.313 139 78 33 143 119 318 171 76 129 17 60 30
2023/2024801 93 115 44 64 95 87 73 43 15 44 46 82
2024/202510 10 0 0 0 0 0 0 0 0 0 0 0
Totale 7.016