CASASSA, Silvia Maria
 Distribuzione geografica
Continente #
NA - Nord America 3.562
EU - Europa 2.246
AS - Asia 735
SA - Sud America 49
AF - Africa 15
OC - Oceania 13
Continente sconosciuto - Info sul continente non disponibili 1
Totale 6.621
Nazione #
US - Stati Uniti d'America 3.529
CN - Cina 436
IT - Italia 399
IE - Irlanda 324
SE - Svezia 294
DE - Germania 266
UA - Ucraina 198
FI - Finlandia 154
FR - Francia 144
PL - Polonia 108
VN - Vietnam 102
KR - Corea 93
NL - Olanda 86
DK - Danimarca 75
GB - Regno Unito 73
BE - Belgio 56
BR - Brasile 32
CA - Canada 27
HK - Hong Kong 23
IN - India 23
RU - Federazione Russa 22
JP - Giappone 17
AU - Australia 13
SG - Singapore 11
AT - Austria 10
PH - Filippine 8
DZ - Algeria 7
VE - Venezuela 7
ES - Italia 6
MX - Messico 6
CO - Colombia 5
CZ - Repubblica Ceca 5
PT - Portogallo 5
RO - Romania 5
CH - Svizzera 4
CL - Cile 4
PK - Pakistan 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
TW - Taiwan 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 6.621
Città #
Ann Arbor 655
Chandler 399
Dublin 322
Beijing 316
Fairfield 234
Wilmington 201
Houston 188
Ashburn 175
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
Frankfurt am Main 52
Boston 51
Brussels 50
Turin 39
Amsterdam 38
Fremont 32
Redwood City 31
Milan 29
San Diego 21
Buffalo 20
Boardman 19
Munich 19
Helsinki 14
Kunming 14
Toronto 14
Falls Church 13
Hangzhou 12
Hong Kong 12
Norwalk 12
Hefei 10
Phoenix 10
Hebei 9
Vienna 9
Guangzhou 8
João Pessoa 8
Düsseldorf 7
Moncalieri 7
Nanjing 7
Pune 7
San Mauro Torinese 7
Verona 7
Alessandria 6
Berlin 6
London 6
Montréal 6
Mountain View 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
Namur 4
New York 4
Nidderau 4
Padova 4
Providence 4
Putney 4
Radomsko 4
Recife 4
Rivoli 4
San Mateo 4
Scuola 4
Settimo Torinese 4
Washington 4
Aarhus 3
Chelyabinsk 3
Chongqing 3
Cumaná 3
Curitiba 3
Dallas 3
Des Moines 3
Guiyang 3
Lachine 3
Lappeenranta 3
Lodz 3
Loughborough 3
Totale 4.390
Nome #
TOPOND14 User's Manual 389
Cryscor: a program for the post-Hartree-Fock treatment of periodic systems 343
CRYSTAL14: A Program for the Ab initio Investigation of Crystalline Solids 317
CRYSTAL17 244
Investigation on the Decomposition Enthalpy of Novel Mixed Mg(1–x)Znx(BH4)2Borohydrides by Means of Periodic DFT Calculations 221
Ab initio study of HCl and HF interaction with crystalline ice. I. Physical adsorption. 170
Quantum-mechanical condensed matter simulations with CRYSTAL 149
Proton-ordered models of ordinary ice for quantum-mechanical studies 141
Ab-iniito study of HCl and HF interaction with crystalline Ice 139
Ab initio investigation of electronic and vibrational contributions to linear and nonlinear dielectric properties of ice 135
CRYSTAL23 135
Experimental and first-principles IR characterization of quercetin adsorbed on a silica surface 132
Quantum Mechanical Ab Initio Characterization of a Simple Periodic Model of the Silica Surface. 131
Proton-ordered ice structures at zero pressure. A quantum-mechanical investigation 131
Calibration of (57)Fe Mössbauer constants by first principles 129
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 128
Ab initio investigation of the affinity of novel bipyrazolate-based MOFs towards H2and CO2 121
Electron density analysis of large (molecular and periodic) systems: A parallel implementation 119
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
Pressure-induced transitions in solid nitrogen: Role of dispersive interactions. 100
How strong are H-bonds at the fully hydroxylated silica surfaces? Insights from the B3LYP electron density topological analysis 99
Electron correlation decides the stability of cubic versus hexagonal boron nitride. 98
CRYSCOR09 97
Diffraction of helium on MgO(100) surface calculated from first-principles 92
A post-Hartree–Fock study of pressure-induced phase transitions in solid nitrogen: The case of the α, γ, and ε low-pressure phases 91
Hirshfeld-I charges in linear combination of atomic orbitals periodic calculations 91
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. 78
Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms 73
IR spectral fingerprint of carbon monoxide in interstellar water-ice models 72
CRYSTAL and EMBED, two computational tools for the ab-initio study of electronic properties of crystal. 70
Anisotropy of the electron momentum distribution in alpha-quartz investigated by Compton scattering and ab initio simulation 68
Structural magnetic and electronic properties of NiO monolayer epitaxially grown on the (001) Ag surface: an ab initio density functional study 68
Oxide/metal interface distance epitaxial strain in the NiO/Ag(001) system 67
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 67
Ab initio simulation of oxygen vacancy bistability in pure and Ge-doped alpha-quartz. 66
Density Fitting for correlated calculations in periodic systems 65
A local MP2 periodic study of crystalline Argon 63
Periodic density functional theory and local-MP2 study of the librational modes of Ice XI 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 58
Periodic local-MP2 computational study of crystalline neon 56
AlGaN double-walled nanotubes as ammonia gas sensor 56
Computational aspects of a local-MP2 treatment of electron correlation in periodic systems: SiC vs BeS 56
Relative energy of Aluminium Hydroxides: the role of electron correlation. 53
Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals 51
EMBED96 50
EMBED01 49
Ab-initio study of periodic Ice surfaces containing HCl. 46
A quantum-mechanical investigation of oxygen vacancies and copper doping in the orthorhombic CaSnO3 perovskite 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
Periodic Local MP2 Method for the Study of Electronic Correlation in Crystals: Theory and Preliminary Applications 43
Local MP2 periodic study of rare-gas crystals 41
Key Role of Defects in Thermoelectric Performance of TiMSn (M = Ni, Pd, and Pt) Half-Heusler Alloys 40
Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal 38
Polar and non polar domain borders in MgO ultrathin films on Ag(001) 38
Interaction of HOCl with a chlorinated ice surface to produce molecular chlorine: an ab initio study 37
Proton ordered cubic and hexagonal periodic models of ordinary Ice 36
Investigation on the interconversion from DMF-solvated to unsolvated copper(ii) pyrazolate coordination polymers 36
Symmetry-adapted Localized Wannier Functions suitable for periodic local correlation methods 35
Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals 34
Electronic structure and morphology of MgO sub-monolayers at the Ag(001) surface: an ab-initio model study 34
MP2 versus density-functional theory study of the Compton profiles of crystalline urea 34
Local-MP2 electron correlation method for non conducting crystal 33
Embedded-cluster ab-initio study of the neutral oxygen vacancy in quartz and cristobalite. 31
DFT and Local-MP2 Periodic Study of the Structure and Stability of Two Proton-Ordered Polymorphs of Ice 31
Ion Conductivity in a Magnesium Borohydride Ammonia Borane Solid-State Electrolyte 30
On the prospective use of the one-electron density matrix as a test of the quality of post-Hartree-Fock schemes for crystals 30
Computational simulations of ZnO@GaN and GaN@ZnO core@shell nanotubes 29
Hartree-Fock Perturbed-Cluster Treatment of local defects in Solids. II. The energy dependent coupling matrices. 27
Energy estimates for local chemica processes in condensed matter. 27
The effect of long-range order on intermolecular interactions in organic semiconductors: Zinc octaethyl porphyrin molecular thin film model systems 27
Ab Initio Modeling of MultiWall: A General Algorithm First Applied to Carbon Nanotubes 27
He-atom scattering from MgO(100): calculating diffraction peak intensities with a semi ab initio potential 26
From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor 25
Fast inertial relaxation engine in the CRYSTAL code 23
Topology of the electron density and of its laplacian from periodic lcao calculations on f-electron materials: The case of cesium uranyl chloride 21
Periodic quantum mechanical simulation of the He–MgO(100) interaction potential 20
Piezoelectric, elastic, Infrared and Raman behavior of ZnO wurtzite under pressure from periodic DFT calculations 19
Effect of in content on thermoelectric performance of InxGa1−xN alloys: Hybrid density functional theory study based on realistic models 19
Combined DFT-D3 Computational and Experimental Studies on g-C3N4: New Insight into Structure, Optical, and Vibrational Properties 15
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 14
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry 14
Piezoelectricity induced by gaseous molecules adsorbed on ZnO nanotubes 12
Roadmap on thermoelectricity 12
Modeling of BN-Doped Carbon Nanotube as High-Performance Thermoelectric Materials 8
Totale 6.889
Categoria #
all - tutte 17.417
article - articoli 0
book - libri 0
conference - conferenze 200
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 17.617


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019255 0 0 0 0 0 0 0 0 5 34 166 50
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
2022/20231.354 139 78 33 143 119 318 190 81 130 19 72 32
2023/2024643 99 119 46 64 102 87 73 43 10 0 0 0
Totale 6.889