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European Theoretical Spectroscopy Facility
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top-articles
European Theoretical Spectroscopy Facility
59
(top 1%)
papers
7.7K
(top 1%)
citations
20
(top 1%)
h
-index
58
(top 1%)
g
-index
62
all documents
8.0K
doc citations
780
citing journals
Top Articles
#
Title
Journal
Year
Citations
1
Advanced capabilities for materials modelling with Quantum ESPRESSO
Journal of Physics Condensed Matter
2017
4,303
2
ABINIT: First-principles approach to material and nanosystem properties
Computer Physics Communications
2009
2,297
3
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Journal of Chemical Physics
2020
210
4
Universal infrared absorbance of two-dimensional honeycomb group-IV crystals
Physical Review B
2013
157
5
Infrared absorbance of silicene and germanene
Applied Physics Letters
2012
144
6
Origin of Dirac-cone-like features in silicon structures on Ag(111) and Ag(110)
Journal of Applied Physics
2013
68
7
Comment on “Huge Excitonic Effects in Layered Hexagonal Boron Nitride”
Physical Review Letters
2008
64
8
Role of Cellulose Oxidation in the Yellowing of Ancient Paper
Physical Review Letters
2012
64
9
Performance of genetic algorithms in search for water splitting perovskites
Journal of Materials Science
2013
42
10
Optical response of strongly absorbing inhomogeneous materials: Application to paper degradation
Physical Review B
2014
40
11
Side-dependent electron escape from graphene- and graphane-like SiC layers
Applied Physics Letters
2012
39
12
Azimuthal Dichroism in Near-Edge X-ray Absorption Fine Structure Spectra of Planar Molecules
Journal of Physical Chemistry C
2013
32
13
Terahertz Absorption by Cellulose: Application to Ancient Paper Artifacts
Physical Review Applied
2017
32
14
Visual degradation in Leonardo da Vinci's iconic self-portrait: A nanoscale study
Applied Physics Letters
2014
31
15
High resolution NEXAFS of perylene and PTCDI: a surface science approach to molecular orbital analysis
Physical Chemistry Chemical Physics
2014
28
16
Ground state structures and electronic excitations of biological chromophores at Quantum Monte Carlo/Many Body Green’s Function Theory level
Computational and Theoretical Chemistry
2014
26
17
Excitons in two-dimensional sheets with honeycomb symmetry
Physica Status Solidi (B): Basic Research
2015
23
18
Enhanced Atom Mobility on the Surface of a Metastable Film
Physical Review Letters
2014
22
19
Conductance of a photochromic molecular switch with graphene leads
Physical Review B
2011
21
20
Anchoring and Bending of Pentacene on Aluminum (001)
Journal of Physical Chemistry C
2015
21
21
Crucial electronic contributions to measures of surface diffusion by He atom scattering
Physical Review B
2008
20
22
Surface dynamics and friction of K/Cu(001) characterized by helium-3 spin-echo and density functional theory
Physical Review B
2009
20
23
TiO2(110) Charge Donation to an Extended π-Conjugated Molecule
Journal of Physical Chemistry Letters
2015
20
24
Graphene magnetism induced by covalent adsorption of aromatic radicals
Physical Chemistry Chemical Physics
2015
20
25
An
ab-initio
approach to cultural heritage: The case of ancient paper degradation
Physica Status Solidi (B): Basic Research
2015
17
26
Test of long-range exchange-correlation kernels of time-dependent density functional theory at surfaces: Application toSi(111)2×1
Physical Review B
2010
16
27
Optical properties of flavin mononucleotide: A QM/MM study of protein environment effects
Chemical Physics
2011
16
28
Finite homogeneous electric fields in the projector augmented wave formalism: Applications to linear and nonlinear response
Computational Materials Science
2012
16
29
Geometric, electronic, and optical properties of the Si(111)2×1 surface: Positive and negative buckling
Physical Review B
2012
15
30
Experimental and Theoretical Study of the Yellowing of Ancient Paper
E-Journal of Surface Science and Nanotechnology
2012
15
31
Ab initiocalculation of core-valence-valence Auger spectra in closed shell systems
Physical Review B
2008
14
32
Many-body study of the photoisomerization of the minimal model of the retinal protonated Schiff base
Chemical Physics Letters
2011
13
33
Spin-Dependent On-Site Electron Correlations and Localization in Itinerant Ferromagnets
Physical Review Letters
2012
12
34
Resonant Lifetime of Core-Excited Organic Adsorbates from First Principles
Journal of Physical Chemistry C
2014
12
35
Anomalous Aharonov–Bohm Gap Oscillations in Carbon Nanotubes
Nano Letters
2011
9
36
Core-level spectra and molecular deformation in adsorption: V-shaped pentacene on Al(001)
Beilstein Journal of Nanotechnology
2015
9
37
Quantitative diagnostics of ancient paper using THz time-domain spectroscopy
Microchemical Journal
2018
9
38
Non-destructive monitoring of molecular modifications in the restoration of works of art on paper⋆
European Physical Journal Plus
2019
8
39
Oxygen Defect Stability in Amorphous,
C
-Axis Aligned, and Spinel IGZO
ACS Applied Electronic Materials
2021
8
40
First-principles calculations and bias-dependent STM measurements at the α-Sn/Ge(111) surface
Europhysics Letters
2009
7
41
Theoretical optical spectroscopy of complex systems
Journal of Electron Spectroscopy and Related Phenomena
2013
7
42
Proton disorder in cubic ice: Effect on the electronic and optical properties
Journal of Chemical Physics
2015
7
43
Detailed features of the surface electronic states of K/Cu(111) by density functional theory
Physical Review B
2010
6
44
Conductance calculation of hydrogen molecular junctions between Cu electrodes
Physical Review B
2013
6
45
Si(111)2×1 surface isomers: DFT investigations on stability and doping effects
Surface Science
2014
6
46
Electronic structure and magnetism of strained bcc phases across the fcc to bcc transition in ultrathin Fe films
Physical Review B
2016
6
47
Charge redistribution in the formation of one-dimensional lithium wires on Cu(001)
Physical Review B
2010
5
48
Many body effects in the electronic and optical properties of the (111) surface of diamond
Surface Science
2007
4
49
Short-range lateral interactions and depolarization of Na atoms on Cu surfaces
Journal of Physics Condensed Matter
2010
4
50
Electronic and magnetic properties of bulk Cr tips for scanning tunneling spectroscopy
Physical Review B
2013
4
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