de Gironcoli, Stefano Maria
 Distribuzione geografica
Continente #
EU - Europa 758
AS - Asia 374
NA - Nord America 361
AF - Africa 57
SA - Sud America 15
OC - Oceania 6
Continente sconosciuto - Info sul continente non disponibili 1
Totale 1.572
Nazione #
IT - Italia 383
US - Stati Uniti d'America 347
CN - Cina 126
IE - Irlanda 108
IN - India 52
JP - Giappone 52
VN - Vietnam 46
FR - Francia 36
DE - Germania 35
RU - Federazione Russa 33
MA - Marocco 20
CZ - Repubblica Ceca 19
FI - Finlandia 19
NL - Olanda 17
IR - Iran 16
BE - Belgio 15
GB - Regno Unito 14
CH - Svizzera 12
CA - Canada 10
ET - Etiopia 10
ES - Italia 9
HK - Hong Kong 9
ID - Indonesia 9
SA - Arabia Saudita 9
TW - Taiwan 9
UA - Ucraina 9
BR - Brasile 8
IL - Israele 7
TR - Turchia 7
ZA - Sudafrica 7
DZ - Algeria 6
PK - Pakistan 6
PL - Polonia 6
SI - Slovenia 6
SK - Slovacchia (Repubblica Slovacca) 6
AU - Australia 5
EG - Egitto 5
KR - Corea 5
NG - Nigeria 5
PH - Filippine 5
RO - Romania 5
SE - Svezia 5
BD - Bangladesh 4
MX - Messico 4
PE - Perù 4
RS - Serbia 4
AT - Austria 3
DK - Danimarca 3
GR - Grecia 3
SG - Singapore 3
BG - Bulgaria 2
CO - Colombia 2
GA - Gabon 2
GE - Georgia 2
LU - Lussemburgo 2
MY - Malesia 2
TH - Thailandia 2
AR - Argentina 1
AZ - Azerbaigian 1
HR - Croazia 1
KW - Kuwait 1
KZ - Kazakistan 1
ME - Montenegro 1
NO - Norvegia 1
NZ - Nuova Zelanda 1
PT - Portogallo 1
RW - Ruanda 1
SD - Sudan 1
SS - ???statistics.table.value.countryCode.SS??? 1
Totale 1.572
Città #
Scuola 192
Dublin 107
Beijing 54
Dong Ket 40
Ashburn 38
Trieste 34
Milan 26
Houston 25
Boardman 20
Helsinki 19
Fleming Island 13
Council Bluffs 12
Udine 12
Wuhan 12
Ann Arbor 11
Rome 11
Tokyo 11
Paris 10
Brussels 8
Dearborn 8
Jeddah 8
Moscow 8
Chicago 7
Bengaluru 6
Bologna 6
Cambridge 6
Falls Church 6
Hanoi 6
New York 6
Orlando 6
Padova 6
Redmond 6
San Jose 6
Shanghai 6
Turin 6
Amsterdam 5
Bratislava 5
Islamabad 5
Mumbai 5
Norwalk 5
Austin 4
Belgrade 4
Donostia / San Sebastian 4
Frankfurt am Main 4
Johannesburg 4
Kharagpur 4
Lima 4
Maribor 4
Modena 4
Mohammedia 4
Muggia 4
Nagoya 4
Phoenix 4
Pisa 4
Tehran 4
Toronto 4
Toyonaka 4
Tsukuba 4
Barcelona 3
Boydton 3
Buffalo 3
Chennai 3
Fairfield 3
Frederiksberg 3
Genoa 3
Ludhiana 3
Machilipatnam 3
Mangalore 3
Mersin 3
Pignone 3
Pretoria 3
Riverside 3
Singapore 3
São Paulo 3
Tai Kok Tsui 3
Taipei 3
University Park 3
Zurich 3
Amagasaki 2
Barrington 2
Carrara 2
Casablanca 2
Catonsville 2
Central 2
Charlottesville 2
Dallas 2
Delhi 2
Domnesti 2
Elâzığ 2
Ghent 2
Golden 2
Goleta 2
Grado 2
Guangzhou 2
Harbin 2
Hasselt 2
Hefei 2
Hsinchu 2
Innisfil 2
Ithaca 2
Totale 959
Nome #
Quantum ESPRESSO toward the exascale, file dd8a4bf9-0806-20a0-e053-d805fe0a8cb0 556
Lithium Adsorption on Graphene at Finite Temperature, file dd8a4bf8-4a0d-20a0-e053-d805fe0a8cb0 96
The CECAM electronic structure library and the modular software development paradigm, file dd8a4bf8-dd92-20a0-e053-d805fe0a8cb0 91
Ag-Cu catalysts for ethylene epoxidation: Selectivity and activity descriptors, file dd8a4bf8-e4a2-20a0-e053-d805fe0a8cb0 80
The (1x1)-> hexagonal structural transition on Pt(100) studied by high-energy resolution core level photoemission, file dd8a4bf8-ef57-20a0-e053-d805fe0a8cb0 64
Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions, file dd8a4bf8-d76a-20a0-e053-d805fe0a8cb0 51
Core level shifts of undercoordinated Pt atoms, file dd8a4bf8-d9f3-20a0-e053-d805fe0a8cb0 49
Advanced capabilities for materials modelling with Quantum ESPRESSO, file dd8a4bf8-3772-20a0-e053-d805fe0a8cb0 44
v-P 2 O 5 micro-clustering in P-doped silica studied by a first-principles Raman investigation, file dd8a4bf8-dd54-20a0-e053-d805fe0a8cb0 40
A parallel orbital-updating based plane-wave basis method for electronic structure calculations, file dd8a4bf8-3770-20a0-e053-d805fe0a8cb0 38
Analysis of methane-to-methanol conversion on clean and defective Rh surfaces, file dd8a4bf7-179d-20a0-e053-d805fe0a8cb0 32
Compact atomic descriptors enable accurate predictions via linear models, file dd8a4bf9-0f97-20a0-e053-d805fe0a8cb0 30
A systematic approach to generating accurate neural network potentials: the case of carbon, file dd8a4bf9-0f39-20a0-e053-d805fe0a8cb0 29
Beyond the random phase approximation with a local exchange vertex, file dd8a4bf8-41a8-20a0-e053-d805fe0a8cb0 28
Ab initio study of phonons in wurtzite AlxGa1-xN alloys, file dd8a4bf8-c9f7-20a0-e053-d805fe0a8cb0 23
Collective dipole effects in ionic transport under electric fields, file dd8a4bf8-de01-20a0-e053-d805fe0a8cb0 23
Substrate doping: A strategy for enhancing reactivity on gold nanocatalysts by tuning sp bands, file dd8a4bf7-1beb-20a0-e053-d805fe0a8cb0 22
Templated growth of metal-organic coordination chains at surfaces, file dd8a4bf7-b944-20a0-e053-d805fe0a8cb0 22
zeta-Glycine: insight into the mechanism of a polymorphic phase transition, file dd8a4bf7-eae1-20a0-e053-d805fe0a8cb0 22
Interplay between bonding and magnetism in the binding of NO to Rh clusters, file dd8a4bf8-f45d-20a0-e053-d805fe0a8cb0 22
First-principles characterization of Mg low-index surfaces: Structure, reconstructions, and surface core-level shifts, file dd8a4bf8-d639-20a0-e053-d805fe0a8cb0 21
Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials, file dd8a4bf8-dae3-20a0-e053-d805fe0a8cb0 19
Data-driven simulation and characterisation of gold nanoparticle melting, file dd8a4bf9-0f95-20a0-e053-d805fe0a8cb0 19
Effects of disorder on the optical gap of (Zn,Mg)(S,Se), file dd8a4bf7-21a8-20a0-e053-d805fe0a8cb0 15
Nature of the Volume Isotope Effect in Ice, file dd8a4bf7-1a95-20a0-e053-d805fe0a8cb0 11
Reproducibility in density functional theory calculations of solids, file dd8a4bf7-66bb-20a0-e053-d805fe0a8cb0 6
Methane dehydrogenation on Rh@Cu(111): a first-principles study of a model catalyst, file dd8a4bf7-1c8f-20a0-e053-d805fe0a8cb0 4
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials, file dd8a4bf7-2084-20a0-e053-d805fe0a8cb0 4
Multilayer thermal expansion of Be(0001) determined from surface core level shifts, file dd8a4bf7-112f-20a0-e053-d805fe0a8cb0 3
Structural, electronic, and magnetic properties of Fe2SiO4 fayalite: Comparison of LDA and GGA results, file dd8a4bf7-2d6a-20a0-e053-d805fe0a8cb0 3
Photoactivated processes in optical fibers: generation and conversion mechanisms of twofold coordinated Si and Ge atoms, file dd8a4bf7-930c-20a0-e053-d805fe0a8cb0 3
Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111), file edf67e36-8766-4778-baa7-731f4bd70104 3
Developing a Neural Network potential to investigate interface phenomena in solid-phase epitaxy, file 9e49d0ee-ca39-436c-8851-6fbe72111996 2
Clusters of Defects as a Possible Origin of Random Telegraph Signal in Imager Devices: a DFT based Study, file d60448a7-9b41-4fba-a748-44f2e5b7fb95 2
Activation-Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces, file da7d4c55-2fe6-406c-aa46-602f3eeb51db 2
Structure and dynamics of the missing-row reconstruction on O/Cu(001) and O/Ag(001), file dd8a4bf7-0f80-20a0-e053-d805fe0a8cb0 2
DFT study of a weakly pi-bonded C2H4 on oxygen-covered Ag(100), file dd8a4bf7-0f82-20a0-e053-d805fe0a8cb0 2
The Interaction of Ethylene with Perfect and Defective Ag(001) Surfaces, file dd8a4bf7-1131-20a0-e053-d805fe0a8cb0 2
Adsorption of ethylene on stepped Ag(n10) surfaces, file dd8a4bf7-113a-20a0-e053-d805fe0a8cb0 2
Structural and electronic properties of a wide-gap quaternary solid solution: Zn,Mg S,Se, file dd8a4bf7-11ac-20a0-e053-d805fe0a8cb0 2
First-principles calculation of the thermal properties of silver, file dd8a4bf7-11bc-20a0-e053-d805fe0a8cb0 2
Ab initio phonon dispersions of Fe and Ni, file dd8a4bf7-11c2-20a0-e053-d805fe0a8cb0 2
Co-adsorption of ethylene and oxygen on the Ag(001) surface, file dd8a4bf7-1378-20a0-e053-d805fe0a8cb0 2
Piezoelectric properties of III-V semiconductors from first-principles linear-response theory, file dd8a4bf7-1387-20a0-e053-d805fe0a8cb0 2
Phonons in Si-Ge systems: An ab initio interatomic-force-constant approach, file dd8a4bf7-14fc-20a0-e053-d805fe0a8cb0 2
Anomalous Pressure-Induced Transition(s) in Ice XI, file dd8a4bf7-164a-20a0-e053-d805fe0a8cb0 2
Taming multiple valency with density functionals: a case study of defective ceria, file dd8a4bf7-1698-20a0-e053-d805fe0a8cb0 2
SixC1−xO2 alloys: A possible route to stabilize carbon-based silica-like solids?, file dd8a4bf7-1a7b-20a0-e053-d805fe0a8cb0 2
Subsurface oxygen stabilization by a third species: carbonates on Ag(210), file dd8a4bf7-1c7c-20a0-e053-d805fe0a8cb0 2
Hydrogen and coordination bonding supramolecular structures of trimesic acid on Cu(110), file dd8a4bf7-1d05-20a0-e053-d805fe0a8cb0 2
Stability of intermediate states for ethylene epoxidation on Ag-Cu alloy catalyst: A first-principles investigation, file dd8a4bf7-1d64-20a0-e053-d805fe0a8cb0 2
Templated growth of metal-organic coordination chains at surfaces, file dd8a4bf7-1f07-20a0-e053-d805fe0a8cb0 2
Structural models of activated gamma-alumina surfaces revisited: Thermodynamics, NMR and IR spectroscopies from ab initio calculations, file dd8a4bf7-1fb3-20a0-e053-d805fe0a8cb0 2
Phonons and related crystal properties from density-functional perturbation theory, file dd8a4bf7-2114-20a0-e053-d805fe0a8cb0 2
Engineering the reactivity of metal catalysts: A model study of methane dehydrogenation on Rh(111), file dd8a4bf7-2224-20a0-e053-d805fe0a8cb0 2
Ab initio calculation of phonon dispersions in semiconductors, file dd8a4bf7-2baf-20a0-e053-d805fe0a8cb0 2
On-surface and subsurface adsorption of oxygen on stepped Ag(210) and Ag(410) surfaces, file dd8a4bf7-2fea-20a0-e053-d805fe0a8cb0 2
Beyond the random phase approximation with a local exchange vertex, file dd8a4bf8-4b5b-20a0-e053-d805fe0a8cb0 2
Finding Reaction Pathways and Transition States: R-ARTn and d-ARTn as an Efficient and Versatile Alternative to String Approaches, file dd8a4bf8-dae2-20a0-e053-d805fe0a8cb0 2
Spin Transition in magnesiowustite in earth's lower mantle, file dd8a4bf7-10f8-20a0-e053-d805fe0a8cb0 1
Vacancy self-diffusion parameters in tungsten: Finite electron-temperature LDA calculations, file dd8a4bf7-110a-20a0-e053-d805fe0a8cb0 1
Tuning the morphology of gold clusters by substrate doping, file dd8a4bf7-1112-20a0-e053-d805fe0a8cb0 1
Effective coordination number: A simple indicator of activation energies for NO dissociation on Rh(100) surfaces, file dd8a4bf7-111a-20a0-e053-d805fe0a8cb0 1
CO/Pt(111): GGA density functional study of site preference for adsorption, file dd8a4bf7-111f-20a0-e053-d805fe0a8cb0 1
Effective coordination as a predictor of adsorption energies: A model study of NO on Rh(100) and Rh/MgO(100) surfaces, file dd8a4bf7-1121-20a0-e053-d805fe0a8cb0 1
First-principles codes for computational crystallography in the Quantum-ESPRESSO package, file dd8a4bf7-112e-20a0-e053-d805fe0a8cb0 1
Role of defects in the electronic properties of amorphous/crystalline Si interface, file dd8a4bf7-1133-20a0-e053-d805fe0a8cb0 1
Surface oscillatory thermal expansion: Mg(10(1)over-bar0), file dd8a4bf7-1134-20a0-e053-d805fe0a8cb0 1
Dipole-quadrupole interactions and the nature of phase III of compressed hydrogen, file dd8a4bf7-1137-20a0-e053-d805fe0a8cb0 1
Floating bonds and gap states in a-Si and a-Si : H from first principles calculations, file dd8a4bf7-11aa-20a0-e053-d805fe0a8cb0 1
Structure and phase stability of GaxIn1−xP solid solutions from computational alchemy, file dd8a4bf7-11b0-20a0-e053-d805fe0a8cb0 1
Phonon dispersions in GaxAl1−xAs alloys, file dd8a4bf7-11b4-20a0-e053-d805fe0a8cb0 1
Structure and thermodynamics of SixGe1−x alloys from ab initio Monte Carlo simulations, file dd8a4bf7-11b6-20a0-e053-d805fe0a8cb0 1
In-plane Raman scattering of (001)-Si/Ge superlattices: Theory and experiment, file dd8a4bf7-11b8-20a0-e053-d805fe0a8cb0 1
Lattice dynamics of metals from density-functional perturbation theory, file dd8a4bf7-11ba-20a0-e053-d805fe0a8cb0 1
First-principles study of vacancy formation and migration energies in tantalum, file dd8a4bf7-11be-20a0-e053-d805fe0a8cb0 1
Temperature-dependent surface relaxations of Ag(111), file dd8a4bf7-11c0-20a0-e053-d805fe0a8cb0 1
Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA, file dd8a4bf7-137c-20a0-e053-d805fe0a8cb0 1
The reconstruction of Rh(001) upon oxygen adsorption, file dd8a4bf7-1383-20a0-e053-d805fe0a8cb0 1
Ab-initio dynamical properties of the Be(0001) surface, file dd8a4bf7-1385-20a0-e053-d805fe0a8cb0 1
Interface mode in Si/Ge superlattices: Theory and experiments, file dd8a4bf7-1389-20a0-e053-d805fe0a8cb0 1
Effects of disorder on the vibrational properties of sige alloys: Failure of mean-field approximations, file dd8a4bf7-14fe-20a0-e053-d805fe0a8cb0 1
Anisotropic thermal expansion in silicates: A density functional study of beta-eucryptite and related materials, file dd8a4bf7-1500-20a0-e053-d805fe0a8cb0 1
Disproportionation phenomena on free and strained Sn/Ge(111) and Sn/Si(111) surfaces, file dd8a4bf7-1545-20a0-e053-d805fe0a8cb0 1
Reply to "Comment on 'Taming multiple valency with density functionals: A case study of defective ceria'", file dd8a4bf7-15b3-20a0-e053-d805fe0a8cb0 1
Toward an accurate and efficient theory of physisorption. I. Development of an augmented density-functional theory model, file dd8a4bf7-17f2-20a0-e053-d805fe0a8cb0 1
Electronic and atomistic structures of clean and reduced ceria surfaces, file dd8a4bf7-1b7a-20a0-e053-d805fe0a8cb0 1
Highly Under-coordinated atoms at Rh surfaces: interplay of strain and coordination effects on core level shift, file dd8a4bf7-1b7f-20a0-e053-d805fe0a8cb0 1
Structure and dynamics of oxygen adsorbed on Ag(100) vicinal surfaces, file dd8a4bf7-1be1-20a0-e053-d805fe0a8cb0 1
Ab initio self-consistent total-energy calculations within the EXX/RPA formalism, file dd8a4bf7-1bec-20a0-e053-d805fe0a8cb0 1
Geometric and electronic structure of the N/Rh(100) system by core-level photoelectron spectroscopy: Experiment and Theory, file dd8a4bf7-1cdb-20a0-e053-d805fe0a8cb0 1
Direct methane-to-methanol conversion: Insight from first-principles calculations, file dd8a4bf7-1cf9-20a0-e053-d805fe0a8cb0 1
On-surface and sub-surface oxygen adsorption on Ag(210): vibrational properties, file dd8a4bf7-1d76-20a0-e053-d805fe0a8cb0 1
Successful a priori modeling of CO adsorption on Pt(111) using periodic hybrid density functional theory, file dd8a4bf7-1e7a-20a0-e053-d805fe0a8cb0 1
alpha beta phase transition in tin: A theoretical study based on density-functional perturbation theory, file dd8a4bf7-1e7f-20a0-e053-d805fe0a8cb0 1
Phonon softening and superconductivity in tellurium under pressure, file dd8a4bf7-1e81-20a0-e053-d805fe0a8cb0 1
Van der Waals coefficients of atoms and molecules from a simple approximation for the polarizability, file dd8a4bf7-1f0a-20a0-e053-d805fe0a8cb0 1
Enhanced chemical reactivity of under-coordinated atoms at Pt-Rh bimetallic surfaces: A spectroscopic characterization, file dd8a4bf7-1f29-20a0-e053-d805fe0a8cb0 1
Nonlocal van der Waals density functional made simple and efficient, file dd8a4bf7-1fb8-20a0-e053-d805fe0a8cb0 1
Anomalous thermodynamic properties in ferropericlase throughout its spin crossover transition, file dd8a4bf7-2083-20a0-e053-d805fe0a8cb0 1
Totale 1.568
Categoria #
all - tutte 3.778
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 3.778


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/201944 0 0 0 0 0 0 0 8 3 28 4 1
2019/202068 5 6 1 5 9 5 12 8 2 10 4 1
2020/202183 1 5 1 3 5 2 8 5 0 12 7 34
2021/2022358 29 40 19 16 25 27 35 36 17 34 33 47
2022/2023534 46 31 54 24 43 86 85 21 32 20 52 40
2023/2024331 42 44 70 32 28 49 33 33 0 0 0 0
Totale 1.590