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The SIESTA method; developments and applicability

Journal of physics. Condensed matter, 2008-02, Vol.20 (6), p.064208-064208 (6)

2008

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Calculation of core level shifts within DFT using pseudopotentials and localized basis sets

The European physical journal. B, Condensed matter physics, 2012-07, Vol.85 (7), Article 239

2012

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Stability and mobility of mono- and di-interstitials in alpha-Fe

Physical review letters, 2004-04, Vol.92 (17), p.175503-175503, Article 175503

2004

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Phonon dispersion in graphite

Physical review letters, 2004-02, Vol.92 (7), p.075501-075501, Article 075501

2004

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Quantum transport in chemically modified two-dimensional graphene: From minimal conductivity to Anderson localization

Physical review. B, Condensed matter and materials physics, 2011-12, Vol.84 (23), Article 235420

2011

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Comment on "Molecular distortions and chemical bonding of a large pi-conjugated molecule on a metal surface"

Physical review letters, 2005-11, Vol.95 (20), p.209601; author reply 209602-209601; author reply 209602, Article 209601

2005

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Tight-binding description of graphene

Physical review. B, Condensed matter, 2002-07, Vol.66 (3), Article 035412

2002

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Quasiparticle spectra of 2H−NbSe2: Two-band superconductivity and the role of tunneling selectivity

Physical review. B, Condensed matter and materials physics, 2015-10, Vol.92

2015

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Performance of local orbital basis sets in the self-consistent Sternheimer method for dielectric matrices of extended systems

The European physical journal. B, Condensed matter physics, 2012-09, Vol.85 (9), Article 321

2012

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Orbital specific chirality and homochiral self-assembly of achiral molecules induced by charge transfer and spontaneous symmetry breaking

Physical review letters, 2010-09, Vol.105 (11), p.115702-115702, Article 115702

2010

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Mechanisms behind the enhancement of thermal properties of graphene nanofluids

Nanoscale, 2018-08, Vol.10 (32), p.15402-15409

2018

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Stiff Monatomic Gold Wires with a Spinning Zigzag Geometry

Physical review letters, 1999-11, Vol.83 (19), p.3884-3887

1999

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Elastic properties of carbon nanotubes under hydrostatic pressure

Physical review. B, Condensed matter, 2002-04, Vol.65 (15), Article 153407

2002

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Tunneling spectroscopy in core/shell structured Fe/MgO nanospheres

Applied physics letters, 2009-02, Vol.94 (6), p.062507-062507-3

2009

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Aggregation of carbon interstitials in silicon carbide: A theoretical study

Physical review. B, Condensed matter, 2003, Vol.68 (12), Article 125201

2003

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Ab initio study of NOx compounds adsorption on SnO2 surface

Sensors and actuators. B, Chemical, 2007-09, Vol.126 (1), p.62-67

2007

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Lowest Energy Structures of Gold Nanoclusters

Physical review letters, 1998-08, Vol.81 (8), p.1600-1603

1998

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Theoretical study of the nonlinear conductance of di-thiol benzene coupled to Au(111) surfaces via thiol and thiolate bonds

Computational materials science, 2003-03, Vol.27 (1-2), p.151-160

2003

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Band bending and quasi-2DEG in the metallized β-SiC(001) surface

Physica status solidi. PSS-RRL. Rapid research letters, 2008-10, Vol.2 (5), p.218-220

2008

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Designed Self-Doped Titanium Oxide Thin Films for Efficient Visible-Light Photocatalysis

Advanced materials (Weinheim), 2002-10, Vol.14 (19), p.1399-1402

2002

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Modulation of Surface Charge Transfer through Competing Long-Range Repulsive versus Short-Range Attractive Interactions

Journal of physical chemistry. C, 2011-09, Vol.115 (38), p.18640-18648

2011

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Seeing molecular orbitals

Chemical physics letters, 2000-04, Vol.321 (1), p.78-82

2000

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Colossal phonon drag enhanced thermopower in lightly doped diamond

Materials today physics, 2022-10, Vol.27, p.100740, Article 100740

2022

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Implementation of non-collinear spin-constrained DFT calculations in SIESTA with a fully relativistic Hamiltonian

JPhys materials, 2018-11, Vol.1 (1), p.15010

2018

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Anisotropic features in the electronic structure of the two-dimensional transition metal trichalcogenide TiS3: electron doping and plasmons

2d materials, 2017-06, Vol.4 (2)

2017

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The SIESTA method; developments and applicability

Calculation of core level shifts within DFT using pseudopotentials and localized basis sets

Stability and mobility of mono- and di-interstitials in alpha-Fe

Phonon dispersion in graphite

Quantum transport in chemically modified two-dimensional graphene: From minimal conductivity to Anderson localization

Comment on "Molecular distortions and chemical bonding of a large pi-conjugated molecule on a metal surface"

Tight-binding description of graphene

Quasiparticle spectra of 2H−NbSe2: Two-band superconductivity and the role of tunneling selectivity

Performance of local orbital basis sets in the self-consistent Sternheimer method for dielectric matrices of extended systems

Orbital specific chirality and homochiral self-assembly of achiral molecules induced by charge transfer and spontaneous symmetry breaking

Mechanisms behind the enhancement of thermal properties of graphene nanofluids

Stiff Monatomic Gold Wires with a Spinning Zigzag Geometry

Elastic properties of carbon nanotubes under hydrostatic pressure

Tunneling spectroscopy in core/shell structured Fe/MgO nanospheres

Aggregation of carbon interstitials in silicon carbide: A theoretical study

Ab initio study of NOx compounds adsorption on SnO2 surface

Lowest Energy Structures of Gold Nanoclusters

Theoretical study of the nonlinear conductance of di-thiol benzene coupled to Au(111) surfaces via thiol and thiolate bonds

Band bending and quasi-2DEG in the metallized β-SiC(001) surface

Designed Self-Doped Titanium Oxide Thin Films for Efficient Visible-Light Photocatalysis

Modulation of Surface Charge Transfer through Competing Long-Range Repulsive versus Short-Range Attractive Interactions

Seeing molecular orbitals

Colossal phonon drag enhanced thermopower in lightly doped diamond

Implementation of non-collinear spin-constrained DFT calculations in SIESTA with a fully relativistic Hamiltonian

Anisotropic features in the electronic structure of the two-dimensional transition metal trichalcogenide TiS3: electron doping and plasmons

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