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Intrinsic Defects, Fluctuations of the Local Shape, and the Photo-Oxidation of Black Phosphorus.Semiconducting Layered Blue Phosphorus: A Computational StudyConducting linear chains of sulphur inside carbon nanotubesAb initio electronic properties of dual phosphorus monolayers in silicon.Ab initio calculation of valley splitting in monolayer δ-doped phosphorus in siliconConfiguration- and conformation-dependent electronic-structure variations in 1,4-disubstituted cyclohexanes enabled by a carbon-to-silicon exchange.Systematic pseudopotentials from reference eigenvalue sets for DFT calculations: Pseudopotential files.The determining factor of a preferred orientation of GaN domains grown on m-plane sapphire substratesNew Class of Molecular Conductance Switches Based on the [1,3]-Silyl Migration from Silanes to SilenesVoltage tuning of vibrational mode energies in single-molecule junctions.Purely one-dimensional bands with a giant spin-orbit splitting: Pb nanoribbons on Si(553) surface.The pseudopotential approximation in electronic structure theory.Density functional theory in materials science.Ab initio calculation of energy levels for phosphorus donors in silicon.Photoinduced work function changes by isomerization of a densely packed azobenzene-based SAM on Au: a joint experimental and theoretical study.Differential geometry based solvation model. III. Quantum formulation.Softening non-metallic crystals by inhomogeneous elasticity.Dispersion interactions in room-temperature ionic liquids: results from a non-empirical density functional.Spin-polarized transport through single-molecule magnet Mn6 complexes.Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: application to methanol.Pulay forces from localized orbitals optimized in situ using a psinc basis set.An O(N3) implementation of Hedin's GW approximation for molecules.Thermally driven nanofuses based on organometallic rotors.Vibrations of H+(D+) in stoichiometric LiNbO3 single crystal.Identification of vibrational signatures from short chains of interlinked molecule-nanoparticle junctions obtained by inelastic electron tunnelling spectroscopy.Cu(II)-Gd(III) cryogenic magnetic refrigerants and Cu8Dy9 single-molecule magnet generated by in situ reactions of picolinaldehyde and acetylpyridine: experimental and theoretical study.Intrinsic ferromagnetism in hexagonal boron nitride nanosheets.Elucidating the fundamental forces in protein crystal formation: the case of crambin.‘C8 phase’: Supercubane, tetrahedral, BC-8 or carbon sodalite?Modeling the iron oxides and oxyhydroxides for the prediction of environmentally sensitive phase transformationsQuasiparticle spectra of2H−NbSe2: Two-band superconductivity and the role of tunneling selectivitySIESTA: A Linear-Scaling Method for Density Functional CalculationsSwitching on magnetism in Ni-doped graphene: Density functional calculationsMonoxides of small terbium clusters: A density functional theory investigationElectronic stopping power in a narrow band gap semiconductor from first principlesFermi surfaces and orbital polarization in superconductingCeO0.5F0.5BiS2revealed by angle-resolved photoemission spectroscopy
P2860
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P2860
description
2008 nî lūn-bûn
@nan
2008 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
The SIESTA method; developments and applicability
@ast
The SIESTA method; developments and applicability
@en
The SIESTA method; developments and applicability
@nl
type
label
The SIESTA method; developments and applicability
@ast
The SIESTA method; developments and applicability
@en
The SIESTA method; developments and applicability
@nl
prefLabel
The SIESTA method; developments and applicability
@ast
The SIESTA method; developments and applicability
@en
The SIESTA method; developments and applicability
@nl
P2093
P356
P1476
The SIESTA method; developments and applicability
@en
P2093
D Sánchez-Portal
J M Pruneda
R M Martin
P304
P356
10.1088/0953-8984/20/6/064208
P577
2008-01-24T00:00:00Z