VIAF

Virtual International Authority File

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Leader     00000nz a2200037n 45 0
001     WKP|Q20811306  (VIAF cluster)  (Authority/Source Record)
003     WKP
005     20241020233010.0
008     241020nneanz||abbn n and d
035 ‎‡a  (WKP)Q20811306‏
024 ‎‡a  0000-0003-2060-3151‏ ‎‡2  orcid‏
035 ‎‡a  (OCoLC)Q20811306‏
043 ‎‡c  ES‏
046 ‎‡f  19650927‏
100 0 ‎‡a  Ángel Rubio‏
375 ‎‡a  1‏ ‎‡2  iso5218‏
400 0 ‎‡a  Ángel Rubio Secades‏ ‎‡c  fisiko spaño‏ ‎‡9  pap‏
400 0 ‎‡a  Ángel Rubio Secades‏ ‎‡c  fizikan spanjoll‏ ‎‡9  sq‏
400 0 ‎‡a  Ángel Rubio‏ ‎‡c  physicien espagnol‏ ‎‡9  fr‏
400 0 ‎‡a  Ángel Rubio Secades‏ ‎‡c  Spanish physicist‏ ‎‡9  en‏
400 0 ‎‡a  Ángel Rubio Secades‏ ‎‡c  Spaans natuurkundige‏ ‎‡9  nl‏
400 0 ‎‡a  Ángel Rubio Secades‏ ‎‡c  físicu asturianu‏ ‎‡9  ast‏
400 0 ‎‡a  Ángel Rubio Secades‏ ‎‡c  físic espanyol‏ ‎‡9  ca‏
400 0 ‎‡a  Ángel Rubio‏ ‎‡c  spanischer theoretischer Physiker‏ ‎‡9  de‏
400 0 ‎‡a  Ángel Rubio Secades‏ ‎‡c  fisico spagnolo‏ ‎‡9  it‏
400 0 ‎‡a  أنخيل روبيو‏ ‎‡c  فيزيائي إسباني‏ ‎‡9  ar‏
400 0 ‎‡a  Ángel Rubio Secades‏ ‎‡c  fisiceoir Spáinneach‏ ‎‡9  ga‏
400 0 ‎‡a  Ángel Rubio Secades‏ ‎‡c  físico español‏ ‎‡9  gl‏
400 0 ‎‡a  Ángel Rubio Secades‏ ‎‡c  físico español‏ ‎‡9  es‏
670 ‎‡a  Author's 13C NMR investigation of carbon nanotubes and derivatives‏
670 ‎‡a  Author's A combined photoemission and ab initio study of the electronic structure of (6,4)/(6,5) enriched single wall carbon nanotubes‏
670 ‎‡a  Author's A Dynamic Landscape from Femtoseconds to Minutes for Excess Electrons at Ice−Metal Interfaces‏
670 ‎‡a  Author's A First-Principles Time-Dependent Density Functional Theory Framework for Spin and Time-Resolved Angular-Resolved Photoelectron Spectroscopy in Periodic Systems‏
670 ‎‡a  Author's A molecular dynamics study of water nucleation using the TIP4P/2005 model‏
670 ‎‡a  Author's A proposed family of variationally correlated first-order density matrices for spin-polarized three-electron model atoms‏
670 ‎‡a  Author's A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations‏
670 ‎‡a  Author's A TDDFT study of the excited states of DNA bases and their assemblies‏
670 ‎‡a  Author's Ab initio calculations of the lattice dynamics of boron nitride nanotubes‏
670 ‎‡a  Author's Ab Initio Cluster Approach for High Harmonic Generation in Liquids‏
670 ‎‡a  Author's Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation‏
670 ‎‡a  Author's Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures‏
670 ‎‡a  Author's Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State.‏
670 ‎‡a  Author's Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials‏
670 ‎‡a  Author's Ab initio structural, elastic, and vibrational properties of carbon nanotubes‏
670 ‎‡a  Author's Ab initio study of the optical absorption and wave-vector-dependent dielectric response of graphite‏
670 ‎‡a  Author's Ab initioangle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory‏
670 ‎‡a  Author's Ab initiomolecular dynamics on the electronic Boltzmann equilibrium distribution‏
670 ‎‡a  Author's Ab initionanoplasmonics: The impact of atomic structure‏
670 ‎‡a  Author's Ab initioSimulation of Helium-Ion Microscopy Images: The Case of Suspended Graphene‏
670 ‎‡a  Author's Ab initiostudy of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects‏
670 ‎‡a  Author's Absorption of BN nanotubes under the influence of a perpendicular electric field‏
670 ‎‡a  Author's Absorption spectra of 4-nitrophenolate ions measured in vacuo and in solution‏
670 ‎‡a  Author's Accurate band mapping via photoemission from thin films‏
670 ‎‡a  Author's Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy‏
670 ‎‡a  Author's Adsorption and electronic excitation of biphenyl onSi‏
670 ‎‡a  Author's Adsorption and electronic excitation of biphenyl onSi(100): A theoretical STM analysis‏
670 ‎‡a  Author's Adsorption Conformation and Lateral Registry of Cobalt Porphine on Cu‏
670 ‎‡a  Author's Adsorption Conformation and Lateral Registry of Cobalt Porphine on Cu(111)‏
670 ‎‡a  Author's Advanced correlation functionals: application to bulk materials and localized systems.‏
670 ‎‡a  Author's All-optical nonequilibrium pathway to stabilising magnetic Weyl semimetals in pyrochlore iridates‏
670 ‎‡a  Author's An issue dedicated to the Ψk Volker Heine Young Investigator Award*‏
670 ‎‡a  Author's Anderson Localization in Carbon Nanotubes: Defect Density and Temperature Effects‏
670 ‎‡a  Author's Anderson localization regime in carbon nanotubes: size dependent properties‏
670 ‎‡a  Author's Angle-resolved photoemission study of the graphite intercalation compoundKC8: A key to graphene‏
670 ‎‡a  Author's Anisotropic excitonic effects in the energy loss function of hexagonal boron nitride‏
670 ‎‡a  Author's Anisotropy and Interplane Interactions in the Dielectric Response of Graphite‏
670 ‎‡a  Author's Anisotropy Effects on the Plasmonic Response of Nanoparticle Dimers.‏
670 ‎‡a  Author's Anomalous anisotropic exciton temperature dependence in rutile TiO2‏
670 ‎‡a  Author's Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers‏
670 ‎‡a  Author's Anomalous Quasiparticle Lifetime in Graphite: Band Structure Effects‏
670 ‎‡a  Author's Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials‏
670 ‎‡a  Author's Are there really cooper pairs and persistent currents in aromatic molecules?‏
670 ‎‡a  Author's Artificially Stacked Atomic Layers: Toward New van der Waals Solids‏
670 ‎‡a  Author's Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophores‏
670 ‎‡a  Author's Asymptotics of the Dispersion Interaction: Analytic Benchmarks for van der Waals Energy Functionals‏
670 ‎‡a  Author's Atomic and electronic properties of quasi-one-dimensional MOS2 nanowires‏
670 ‎‡a  Author's Atomic-like high-harmonic generation from two-dimensional materials‏
670 ‎‡a  Author's Atomic structure of the3×3phase of silicene on Ag‏
670 ‎‡a  Author's Atomic structure of the3×3phase of silicene on Ag(111)‏
670 ‎‡a  Author's Atomistic simulation of the laser induced damage in single wall carbon nanotubes: Diameter and chirality dependence‏
670 ‎‡a  Author's Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry‏
670 ‎‡a  Author's Attosecond control of dissociative ionization of O2molecules‏
670 ‎‡a  Author's Attosecond magnetization dynamics in non-magnetic materials driven by intense femtosecond lasers‏
670 ‎‡a  Author's Attosecond optical-field-enhanced carrier injection into the GaAs conduction band‏
670 ‎‡a  Author's Attosecond screening dynamics mediated by electron localization in transition metals‏
670 ‎‡a  Author's Author Correction: Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions‏
670 ‎‡a  Author's Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids‏
670 ‎‡a  Author's Benchmark ofGWmethods for azabenzenes‏
670 ‎‡a  Author's Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference‏
670 ‎‡a  Author's BilayerSnS2: Tunable stacking sequence by charging and loading pressure‏
670 ‎‡a  Author's Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation‏
670 ‎‡a  Author's Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory‏
670 ‎‡a  Author's Boron Quasicrystals and Boron Nanotubes: Ab Initio Study of Various B96 Isomers‏
670 ‎‡a  Author's Bound Excitons in Time-Dependent Density-Functional Theory: Optical and Energy-Loss Spectra‏
670 ‎‡a  Author's Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars‏
670 ‎‡a  Author's Can Cooper pairs in benzene lead to Efimov states?‏
670 ‎‡a  Author's Can photo excitations heal defects in carbon nanotubes?‏
670 ‎‡a  Author's Carbon nanotubes as heat dissipaters in microelectronics‏
670 ‎‡a  Author's Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems‏
670 ‎‡a  Author's Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity‏
670 ‎‡a  Author's Challenges in truncating the hierarchy of time-dependent reduced density matrices equations‏
670 ‎‡a  Author's Change in analytic structure of first-order density matrix as a functional of electron density due to inter-particle correlation: a two-electron model example‏
670 ‎‡a  Author's Channeling of charge carrier plasmons in carbon nanotubes‏
670 ‎‡a  Author's Chapter 10 Time-dependent transport phenomena‏
670 ‎‡a  Author's Charge transfer in time-dependent density-functional theory via spin-symmetry breaking‏
670 ‎‡a  Author's Charge-Transfer Plasmon Polaritons at Graphene/α-RuCl3 Interfaces‏
670 ‎‡a  Author's Charge-Transfer Plasmon Polaritons at Graphene/α-RuCl3 Interfaces‏
670 ‎‡a  Author's Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces‏
670 ‎‡a  Author's Coherent quantum switch driven by optimized laser pulses‏
670 ‎‡a  Author's Coherent ultrafast charge transfer in an organic photovoltaic blend‏
670 ‎‡a  Author's Combined experimental andab initiostudy of the electronic structure of narrow-diameter single-wall carbon nanotubes with predominant (6,4),(6,5) chirality‏
670 ‎‡a  Author's Comment on “Band-Gap Problem in Semiconductors Revisited: Effects of Core States and Many-Body Self-Consistency”‏
670 ‎‡a  Author's Communication: Systematic shifts of the lowest unoccupied molecular orbital peak in x-ray absorption for a series of 3d metal porphyrins‏
670 ‎‡a  Author's Communications: Nanomagnetic shielding: High-resolution NMR in carbon allotropes‏
670 ‎‡a  Author's Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2‏
670 ‎‡a  Author's Computing C1 s X-ray Absorption for Single-Walled Carbon Nanotubes with Distinct Electronic Type‏
670 ‎‡a  Author's Conditional Born–Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine‏
670 ‎‡a  Author's Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics‏
670 ‎‡a  Author's Conductance of Sidewall-Functionalized Carbon Nanotubes: Universal Dependence on Adsorption Sites‏
670 ‎‡a  Author's Confined linear carbon chains as a route to bulk carbyne‏
670 ‎‡a  Author's ConservingGWscheme for nonequilibrium quantum transport in molecular contacts‏
670 ‎‡a  Author's Controlling heat and particle currents in nanodevices by quantum observation‏
670 ‎‡a  Author's Copper-phthalocyanine based metal-organic interfaces: the effect of fluorination, the substrate, and its symmetry‏
670 ‎‡a  Author's Correlated electron-nuclear dynamics with conditional wave functions.‏
670 ‎‡a  Author's Correlated electronic phases in twisted bilayer transition metal dichalcogenides‏
670 ‎‡a  Author's Correlation effects in the optical spectra of porphyrin oligomer chains: exciton confinement and length dependence.‏
670 ‎‡a  Author's Coulomb explosion of deuterium cationic clusters‏
670 ‎‡a  Author's Coupling of excitons and defect states in boron-nitride nanostructures‏
670 ‎‡a  Author's Covalent C-N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation‏
670 ‎‡a  Author's Creating stable Floquet-Weyl semimetals by laser-driving of 3D Dirac materials‏
670 ‎‡a  Author's Cross-Conjugation vs. Linear Conjugation in Donor-Bridge-Acceptor Nitrophenol Chromophores‏
670 ‎‡a  Author's Customized Electronic Coupling in Self-Assembled Donorâ Acceptor Nanostructures‏
670 ‎‡a  Author's Density functional theory beyond the linear regime: Validating an adiabatic local density approximation‏
670 ‎‡a  Author's Density-Functional Theory forf-Electron Systems: Theα−γPhase Transition in Cerium‏
670 ‎‡a  Author's Density functional theory study of theα−γphase transition in cerium: Role of electron correlation andf-orbital localization‏
670 ‎‡a  Author's Density functionals from many-body perturbation theory: The band gap for semiconductors and insulators‏
670 ‎‡a  Author's Density-matrix theory for the ground state of spin-compensated harmonically confined two-electron model atoms with general interparticle repulsion‏
670 ‎‡a  Author's Design of solar cell materials via soft X-ray spectroscopy‏
670 ‎‡a  Author's Design of two-photon molecular tandem architectures for solar cells by ab initio theory‏
670 ‎‡a  Author's Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes‏
670 ‎‡a  Author's Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane‏
670 ‎‡a  Author's Differential virial theorem in relation to a sum rule for the exchange-correlation force in density-functional theory.‏
670 ‎‡a  Author's Direct imaging of covalent bond structure in single-molecule chemical reactions.‏
670 ‎‡a  Author's Direct Observation of the Mechanical Properties of Single-Walled Carbon Nanotubes and Their Junctions at the Atomic Level‏
670 ‎‡a  Author's Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes‏
670 ‎‡a  Author's Doped Graphene as Tunable Electron−Phonon Coupling Material‏
670 ‎‡a  Author's Double-Bond versus Triple-Bond Bridges: Does it Matter for the Charge-Transfer Absorption by Donor-Acceptor Chromophores?‏
670 ‎‡a  Author's Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photoemission‏
670 ‎‡a  Author's Dynamics of Charge-Transfer Processes with Time-Dependent Density Functional Theory‏
670 ‎‡a  Author's Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue?‏
670 ‎‡a  Author's Effect of many modes on self-polarization and photochemical suppression in cavities‏
670 ‎‡a  Author's Effect of spatial nonlocality on the density functional band gap‏
670 ‎‡a  Author's Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT‏
670 ‎‡a  Author's Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory.‏
670 ‎‡a  Author's Efficient gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible‏
670 ‎‡a  Author's Elastic Properties of C andBxCyNzComposite Nanotubes‏
670 ‎‡a  Author's Electrical transport in carbon nanotubes: Role of disorder and helical symmetries‏
670 ‎‡a  Author's Electron-electron correlation in graphite: a combined angle-resolved photoemission and first-principles study‏
670 ‎‡a  Author's Electron linewidths of wide-gap insulators: Excitonic effects inLiF‏
670 ‎‡a  Author's Electron-phonon-driven three-dimensional metallicity in an insulating cuprate‏
670 ‎‡a  Author's Electronic and crystallographic structure of apatites‏
670 ‎‡a  Author's Electronic and magnetic properties of NiS2, NiSSe and NiSe2 by a combination of theoretical methods‏
670 ‎‡a  Author's Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne‏
670 ‎‡a  Author's Electronic excitations: density-functional versus many-body Green’s-function approaches‏
670 ‎‡a  Author's Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective‏
670 ‎‡a  Author's Electronic properties of molecular solids: the peculiar case of solid picene‏
670 ‎‡a  Author's Electronic States in a Finite Carbon Nanotube: A One-Dimensional Quantum Box‏
670 ‎‡a  Author's Electronic structure and electron-phonon coupling of doped graphene layers inKC8‏
670 ‎‡a  Author's Electronic structure and excitations in oligoacenes from ab initio calculations‏
670 ‎‡a  Author's Electronic structure of Fe- vs. Ru-based dye molecules‏
670 ‎‡a  Author's Electronic structure of silicene on Ag‏
670 ‎‡a  Author's Electronic structure of silicene on Ag(111): Strong hybridization effects‏
670 ‎‡a  Author's Ellipticity dependence of high-harmonic generation in solids originating from coupled intraband and interband dynamics‏
670 ‎‡a  Author's Emergent elemental two-dimensional materials beyond graphene‏
670 ‎‡a  Author's Engineering Photophenomena in Large, 3D Structures Composed of Self-Assembled van der Waals Heterostructure Flakes‏
670 ‎‡a  Author's Engineering quantum materials with chiral optical cavities‏
670 ‎‡a  Author's Enhanced excitonic effects in the energy loss spectra of LiF and Ar at large momentum transfer‏
670 ‎‡a  Author's Enhanced thermoelectric properties in hybrid graphene/boron nitride nanoribbons‏
670 ‎‡a  Author's Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme‏
670 ‎‡a  Author's Erratum to: Introduction to the Physics of Silicene and other 2D Materials‏
670 ‎‡a  Author's Evidence of a low compressibility carbon nitride with defect-zincblende structure‏
670 ‎‡a  Author's Exact correlated kinetic energy related to the electron density for two-electron model atoms with harmonic confinement‏
670 ‎‡a  Author's Exact Coulomb cutoff technique for supercell calculations‏
670 ‎‡a  Author's Exact functionals for correlated electron–photon systems‏
670 ‎‡a  Author's Exact Kohn-Sham potential of strongly correlated finite systems.‏
670 ‎‡a  Author's Exact maps in density functional theory for lattice models‏
670 ‎‡a  Author's Exact time evolution of the pair distribution function for an entangled two-electron initial state‏
670 ‎‡a  Author's Excited states dynamics in time-dependent density functional theory‏
670 ‎‡a  Author's Excited states of the green fluorescent protein chromophore: Performance of ab initio and semi-empirical methods‏
670 ‎‡a  Author's Exciton control in a room temperature bulk semiconductor with coherent strain pulses‏
670 ‎‡a  Author's Exciton dispersion in molecular solids‏
670 ‎‡a  Author's Excitonic effects in solids described by time-dependent density-functional theory.‏
670 ‎‡a  Author's Excitons in Boron Nitride Nanotubes: Dimensionality Effects‏
670 ‎‡a  Author's Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene‏
670 ‎‡a  Author's Fast Electron Transfer Kinetics on Multiwalled Carbon Nanotube Microbundle Electrodes‏
670 ‎‡a  Author's Femtosecond exciton dynamics in WSe2 optical waveguides‏
670 ‎‡a  Author's Femtosecond laser pulse shaping for enhanced ionization‏
670 ‎‡a  Author's Fermi Gap Stabilization of an Incommensurate Two-Dimensional Superstructure‏
670 ‎‡a  Author's Fermi velocity renormalization in doped graphene‏
670 ‎‡a  Author's Fingerprints of bonding motifs in DNA duplexes of adenine and thymine revealed from circular dichroism: synchrotron radiation experiments and TDDFT calculations.‏
670 ‎‡a  Author's First-principles calculations of hot-electron lifetimes in metals‏
670 ‎‡a  Author's First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory‏
670 ‎‡a  Author's First-principles description of correlation effects in layered materials.‏
670 ‎‡a  Author's First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory‏
670 ‎‡a  Author's First-principles simulations of chemical reactions in an HCl molecule embedded inside a C or BN nanotube induced by ultrafast laser pulses‏
670 ‎‡a  Author's Force balance approach for advanced approximations in density functional theories‏
670 ‎‡a  Author's Formation and electronic properties ofBC3single-wall nanotubes upon boron substitution of carbon nanotubes‏
670 ‎‡a  Author's Förster-Induced Energy Transfer in Functionalized Graphene‏
670 ‎‡a  Author's Four electrons interacting pairwise in the limit of infinitesimal confining potentials: Especially the quintet spin state‏
670 ‎‡a  Author's Frenkel versus charge-transfer exciton dispersion in molecular crystals‏
670 ‎‡a  Author's Frequency-dependent electrical transport in carbon nanotubes‏
670 ‎‡a  Author's Frequency-Dependent Sternheimer Linear-Response Formalism for Strongly Coupled Light–Matter Systems‏
670 ‎‡a  Author's From a quantum-electrodynamical light–matter description to novel spectroscopies‏
670 ‎‡a  Author's Generation and Evolution of Spin-, Valley-, and Layer-Polarized Excited Carriers in Inversion-Symmetric WSe_{2}.‏
670 ‎‡a  Author's Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene‏
670 ‎‡a  Author's Gold and Methane: A Noble Combination for Delicate Oxidation‏
670 ‎‡a  Author's h-AlN-Mg‏
670 ‎‡a  Author's h-AlN-Mg(OH)2 van der Waals bilayer heterostructure: Tuning the excitonic characteristics‏
670 ‎‡a  Author's High-energy collective electronic excitations in layered transition-metal dichalcogenides‏
670 ‎‡a  Author's High-harmonic generation from spin-polarised defects in solids‏
670 ‎‡a  Author's High-pressure phases of group-IV, III–V, and II–VI compounds‏
670 ‎‡a  Author's Hole Dynamics in Noble Metals‏
670 ‎‡a  Author's Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach‏
670 ‎‡a  Author's Hydrogenation of C60in Peapods: Physical Chemistry in Nano Vessels‏
670 ‎‡a  Author's Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperatures‏
670 ‎‡a  Author's Imaging single-molecule reaction intermediates stabilized by surface dissipation and entropy‏
670 ‎‡a  Author's Impact of the Electronic Band Structure in High-Harmonic Generation Spectra of Solids.‏
670 ‎‡a  Author's Inelastic Lifetimes of Hot Electrons in Real Metals‏
670 ‎‡a  Author's Influence of Axial and Peripheral Ligands on the Electronic Structure of Titanium Phthalocyanines‏
670 ‎‡a  Author's Influence of packing on the vibrational properties of infinite and finite bundles of carbon nanotubes‏
670 ‎‡a  Author's Influence of S and P Doping in a Graphene Sheet‏
670 ‎‡a  Author's Infrared plasmons propagate through a hyperbolic nodal metal‏
670 ‎‡a  Author's Initial stage of quasiparticle decay in fermionic systems‏
670 ‎‡a  Author's Insights into colour-tuning of chlorophyll optical response in green plants‏
670 ‎‡a  Author's Instantaneous band gap collapse in photoexcited monoclinic VO2 due to photocarrier doping.‏
670 ‎‡a  Author's Interaction of molecular and atomic hydrogen with (5,5) and (6,6) single-wall carbon nanotubes‏
670 ‎‡a  Author's Interaction of Molecular and Atomic Hydrogen With Single-Wall Carbon Nanotubes‏
670 ‎‡a  Author's Interface and bulk effects in the attenuation of low-energy electrons throughCaF2thin films‏
670 ‎‡a  Author's Interplay between structure and electronic properties of layered transition-metal dichalcogenides: Comparing the loss function of1Tand2Hpolymorphs‏
670 ‎‡a  Author's Inversed linear dichroism in FK-edge NEXAFS spectra of fluorinated planar aromatic molecules‏
670 ‎‡a  Author's Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space‏
670 ‎‡a  Author's Large area planar stanene epitaxially grown on Ag‏
670 ‎‡a  Author's Large area planar stanene epitaxially grown on Ag(1 1 1)‏
670 ‎‡a  Author's Laser-induced control of‏
670 ‎‡a  Author's Laser-induced control of (multichannel) intracluster reactions‏
670 ‎‡a  Author's Laser-induced preferential dehydrogenation of graphane‏
670 ‎‡a  Author's Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation.‏
670 ‎‡a  Author's Level alignment of a prototypical photocatalytic system: methanol on TiO2‏
670 ‎‡a  Author's Level alignment of a prototypical photocatalytic system: methanol on TiO2(110).‏
670 ‎‡a  Author's Lifetime ofdholes at Cu surfaces: Theory and experiment‏
670 ‎‡a  Author's Lifetimes and mean-free paths of hot electrons in the alkali metals‏
670 ‎‡a  Author's Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy‏
670 ‎‡a  Author's Local adsorption structure and bonding of porphine on Cu‏
670 ‎‡a  Author's Local adsorption structure and bonding of porphine on Cu(111) before and after self-metalation‏
670 ‎‡a  Author's Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials‏
670 ‎‡a  Author's Local-field effects on the plasmon dispersion of two-dimensional transition metal dichalcogenides‏
670 ‎‡a  Author's Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations‏
670 ‎‡a  Author's Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations‏
670 ‎‡a  Author's Long-lived oscillatory incoherent electron dynamics in molecules:trans-polyacetylene oligomers‏
670 ‎‡a  Author's Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory‏
670 ‎‡a  Author's Loss spectroscopy of molecular solids: combining experiment and theory‏
670 ‎‡a  Author's Many-Body Effects in the Excitation Spectrum of a Defect in SiC‏
670 ‎‡a  Author's Mechanically interlocked single-wall carbon nanotubes‏
670 ‎‡a  Author's Metallicity retained by covalent functionalization of graphene with phenyl groups‏
670 ‎‡a  Author's Microscopic investigation of laser-induced structural changes in single-wall carbon nanotubes‏
670 ‎‡a  Author's Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries‏
670 ‎‡a  Author's Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes‏
670 ‎‡a  Author's Modeling of laser-pulse induced water decomposition on two-dimensional materials by simulations based on time-dependent density functional theory‏
670 ‎‡a  Author's Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene‏
670 ‎‡a  Author's Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry‏
670 ‎‡a  Author's Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics‏
670 ‎‡a  Author's Modifying the Interlayer Interaction in Layered Materials with an Intense IR Laser‏
670 ‎‡a  Author's Molecular Dynamics and Phase Transition in One-Dimensional Crystal of C60 Encapsulated Inside Single Wall Carbon Nanotubes‏
670 ‎‡a  Author's Momentum density and spatial form of correlated density matrix in model two-electron atoms with harmonic confinement‏
670 ‎‡a  Author's Momentum-Resolved View of Electron-Phonon Coupling in Multilayer WSe_{2}.‏
670 ‎‡a  Author's Monitoring Electron-Photon Dressing in WSe2.‏
670 ‎‡a  Author's Multiple-orbital effects in laser-induced electron diffraction of aligned molecules‏
670 ‎‡a  Author's Nanoscale patchworks‏
670 ‎‡a  Author's Negative plasmon dispersion in 2H-NbS2beyond the charge-density-wave interpretation‏
670 ‎‡a  Author's Negative refraction in hyperbolic hetero-bicrystals‏
670 ‎‡a  Author's New perspectives of the weighted spin-density approximation: gradient corrections and the valence-only approach‏
670 ‎‡a  Author's Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules‏
670 ‎‡a  Author's Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems‏
670 ‎‡a  Author's Nonadiabatic Electron Dynamics in Tunneling Junctions: Lattice Exchange-Correlation Potential‏
670 ‎‡a  Author's Noncovalent Dimerization after Enediyne Cyclization on Au(111).‏
670 ‎‡a  Author's Nonequilibrium GW approach to quantum transport in nano-scale contacts.‏
670 ‎‡a  Author's Nonlinear phenomena in time-dependent density-functional theory: What Rabi oscillations can teach us‏
670 ‎‡a  Author's Nonlocal approximation to the exchange and kinetic energy functionals: Application to metallic clusters‏
670 ‎‡a  Author's Nonlocal exchange and kinetic-energy density functionals for electronic systems‏
670 ‎‡a  Author's Nonlocal exchange and kinetic energy density functionals with correct asymptotic behavior for electronic systems‏
670 ‎‡a  Author's Nonlocally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor‏
670 ‎‡a  Author's Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems‏
670 ‎‡a  Author's octopus: a first-principles tool for excited electron–ion dynamics‏
670 ‎‡a  Author's octopus: a tool for the application of time-dependent density functional theory‏
670 ‎‡a  Author's On the Breaking of Carbon Nanotubes under Tension‏
670 ‎‡a  Author's On the Combination of TDDFT with Molecular Dynamics: New Developments‏
670 ‎‡a  Author's On the effect of a single solvent molecule on the charge-transfer band of a donor-acceptor anion‏
670 ‎‡a  Author's On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment‏
670 ‎‡a  Author's On the intrinsic optical absorptions by tetrathiafulvalene radical cations and isomers‏
670 ‎‡a  Author's On the Use of Neumann's Principle for the Calculation of the Polarizability Tensor of Nanostructures‏
670 ‎‡a  Author's One-dimensional flat bands in twisted bilayer germanium selenide‏
670 ‎‡a  Author's Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach‏
670 ‎‡a  Author's Optical absorption of the blue fluorescent protein: a first-principles study‏
670 ‎‡a  Author's Optical and Loss Spectra of Carbon Nanotubes: Depolarization Effects and Intertube Interactions‏
670 ‎‡a  Author's Optical field terahertz amplitude modulation by graphene nanoribbons.‏
670 ‎‡a  Author's Optical Properties of Nanostructures from Time-Dependent Density Functional Theory‏
670 ‎‡a  Author's Optical saturation driven by exciton confinement in molecular chains: a time-dependent density-functional theory approach.‏
670 ‎‡a  Author's Optimal control of high-harmonic generation by intense few-cycle pulses‏
670 ‎‡a  Author's Optimal Control of Quantum Rings by Terahertz Laser Pulses‏
670 ‎‡a  Author's Optimal laser control of double quantum dots‏
670 ‎‡a  Author's Optimal thermoelectric figure of merit of Si/Ge core-shell nanowires‏
670 ‎‡a  Author's Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory.‏
670 ‎‡a  Author's Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?‏
670 ‎‡a  Author's Patching and Tearing Single-Wall Carbon-Nanotube Ropes into Multiwall Carbon Nanotubes‏
670 ‎‡a  Author's Performance of Nonlocal Optics When Applied to Plasmonic Nanostructures‏
670 ‎‡a  Author's Persistent currents in carbon nanotube based rings‏
670 ‎‡a  Author's PFO-BPy solubilizers for SWNTs: Modelling of polymers from oligomers‏
670 ‎‡a  Author's Phase Separation of Carbon Nanotubes and Turbostratic Graphite Using a Functional Organic Polymer‏
670 ‎‡a  Author's Phonon and plasmon excitation in inelastic electron tunneling spectroscopy of graphite‏
670 ‎‡a  Author's Phonon Driven Floquet Matter.‏
670 ‎‡a  Author's Phonon-driven spin-Floquet magneto-valleytronics in MoS2.‏
670 ‎‡a  Author's Phonon softening and direct to indirect band gap crossover in strained single-layer MoSe2‏
670 ‎‡a  Author's Phonon surface mapping of graphite: Disentangling quasi-degenerate phonon dispersions‏
670 ‎‡a  Author's Photo-induced strengthening of weak bonding in noble gas dimers‏
670 ‎‡a  Author's Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory‏
670 ‎‡a  Author's Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory‏
670 ‎‡a  Author's Photodesorption of oxygen from carbon nanotubes‏
670 ‎‡a  Author's Photoexcitation of a light-harvesting supramolecular triad: a time-dependent DFT study‏
670 ‎‡a  Author's Photoinduced Absorption within Single-Walled Carbon Nanotube Systems‏
670 ‎‡a  Author's Photoinduced C-C reactions on insulators toward photolithography of graphene nanoarchitectures‏
670 ‎‡a  Author's Physical meaning of the natural orbitals: Analysis of exactly solvable models‏
670 ‎‡a  Author's Plasmon dispersion in layered transition-metal dichalcogenides‏
670 ‎‡a  Author's Plasmon dispersion in molecular solids: Picene and potassium-doped picene‏
670 ‎‡a  Author's Plasmonic excitations in noble metals: The case of Ag‏
670 ‎‡a  Author's Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties‏
670 ‎‡a  Author's Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces‏
670 ‎‡a  Author's Polarization-state-resolved high-harmonic spectroscopy of solids‏
670 ‎‡a  Author's Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions‏
670 ‎‡a  Author's Polyyne electronic and vibrational properties under environmental interactions‏
670 ‎‡a  Author's Potassium-intercalated single-wall carbon nanotube bundles: Archetypes for semiconductor/metal hybrid systems‏
670 ‎‡a  Author's Pressure and temperature dependence of the Raman phonons in isotopic γ-CuI‏
670 ‎‡a  Author's Pressure dependence of the lattice dynamics of ZnO: An ab initio approach‏
670 ‎‡a  Author's Pressure dependence of the lattice dynamics of ZnO: Anab initioapproach‏
670 ‎‡a  Author's Probing the electronic properties of self-organized poly‏
670 ‎‡a  Author's Probing the electronic properties of self-organized poly(3-dodecylthiophene) monolayers by two-dimensional scanning tunneling spectroscopy imaging at the single chain scale‏
670 ‎‡a  Author's Programmable hyperbolic polaritons in van der Waals semiconductors‏
670 ‎‡a  Author's Propagators for the time-dependent Kohn-Sham equations.‏
670 ‎‡a  Author's Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods.‏
670 ‎‡a  Author's Publisher Correction: Ellipticity dependence of high-harmonic generation in solids originating from coupled intraband and interband dynamics‏
670 ‎‡a  Author's Publisher's Note: Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces [Phys. Rev. B80, 245427 (2009)]‏
670 ‎‡a  Author's Pulse-induced nonequilibrium dynamics of acetylene inside carbon nanotube studied by an ab initio approach‏
670 ‎‡a  Author's Pure and Mixed Pb Clusters of Interest for Liquid Ionic Alloys‏
670 ‎‡a  Author's Quantum coherence controls the charge separation in a prototypical artificial light harvesting system‏
670 ‎‡a  Author's Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory‏
670 ‎‡a  Author's Quantum plasmonics: from jellium models to ab initio calculations‏
670 ‎‡a  Author's Quasi-particle energy spectra in local reduced density matrix functional theory.‏
670 ‎‡a  Author's Quasiparticle band-structure effects on thedhole lifetimes of copper within theGWapproximation‏
670 ‎‡a  Author's Quasiparticle Level Alignment for Photocatalytic Interfaces.‏
670 ‎‡a  Author's Raman spectroscopy of single-wall boron nitride nanotubes.‏
670 ‎‡a  Author's Rare-earth surface alloying: a new phase for GdAu2.‏
670 ‎‡a  Author's Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems‏
670 ‎‡a  Author's Real-Time Ab Initio Simulations of Excited Carrier Dynamics in Carbon Nanotubes‏
670 ‎‡a  Author's Recovered Bandgap Absorption of Single-Walled Carbon Nanotubes in Acetone and Alcohols‏
670 ‎‡a  Author's Reexamining the Lyman-Birge-Hopfield band of N2‏
670 ‎‡a  Author's Renormalization of Molecular Quasiparticle Levels at Metal-Molecule Interfaces: Trends across Binding Regimes‏
670 ‎‡a  Author's Revealing the adsorption mechanisms of nitroxides on ultrapure, metallicity-sorted carbon nanotubes‏
670 ‎‡a  Author's Role of disorder on transport in boron-doped multiwalled carbon nanotubes‏
670 ‎‡a  Author's Role of intraband transitions in photocarrier generation‏
670 ‎‡a  Author's Role of nonlocal exchange in the electronic structure of correlated oxides‏
670 ‎‡a  Author's Role of occupieddstates in the relaxation of hot electrons in Au‏
670 ‎‡a  Author's Scanning tunneling spectroscopy simulations of poly‏
670 ‎‡a  Author's Scanning tunneling spectroscopy simulations of poly(3-dodecylthiophene) chains adsorbed on highly oriented pyrolytic graphite‏
670 ‎‡a  Author's Schilleret al.Reply:‏
670 ‎‡a  Author's Self-consistent DFT+U method for real-space time-dependent density functional theory calculations‏
670 ‎‡a  Author's Self-consistentGW: All-electron implementation with localized basis functions‏
670 ‎‡a  Author's Self-energy and excitonic effects in the electronic and optical properties ofTiO2crystalline phases‏
670 ‎‡a  Author's Setting the photoelectron clock through molecular alignment‏
670 ‎‡a  Author's Silicate chain formation in the nanostructure of cement-based materials‏
670 ‎‡a  Author's Silicite: The layered allotrope of silicon‏
670 ‎‡a  Author's Simulating Pump-Probe Photoelectron and Absorption Spectroscopy on the Attosecond Timescale with Time-Dependent Density Functional Theory‏
670 ‎‡a  Author's Sodium: A Charge-Transfer Insulator at High Pressures‏
670 ‎‡a  Author's Solution of Poisson's equation for finite systems using plane-wave methods‏
670 ‎‡a  Author's Solvent-mediated folding of dicarboxylate dianions: aliphatic chain length dependence and origin of the IR intensity quenching‏
670 ‎‡a  Author's Spectroscopic Characterization of Solvent-Mediated Folding in Dicarboxylate Dianions‏
670 ‎‡a  Author's Spectroscopic characterization of Stone-Wales defects in nanotubes‏
670 ‎‡a  Author's Spectroscopy of nitrophenolates in vacuo: effect of spacer, configuration, and microsolvation on the charge-transfer excitation energy‏
670 ‎‡a  Author's Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties‏
670 ‎‡a  Author's Stability and Band Gap Constancy of Boron Nitride Nanotubes‏
670 ‎‡a  Author's Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study‏
670 ‎‡a  Author's Stable Dirac semimetal in the allotropes of group-IV elements‏
670 ‎‡a  Author's Stable monolayer honeycomb-like structures ofRuX2(X=S,Se)‏
670 ‎‡a  Author's Stable two-dimensional dumbbell stanene: A quantum spin Hall insulator‏
670 ‎‡a  Author's Stark Ionization of Atoms and Molecules within Density Functional Resonance Theory‏
670 ‎‡a  Author's Static correlation and electron localization in molecular dimers from the self-consistent RPA andGWapproximation‏
670 ‎‡a  Author's Stochastic Heterostructures and Diodium in B/N-Doped Carbon Nanotubes‏
670 ‎‡a  Author's Strong charge-transfer excitonic effects and the Bose-Einstein exciton condensate in graphane.‏
670 ‎‡a  Author's Strong electronic correlation in the hydrogen chain: A variational Monte Carlo study‏
670 ‎‡a  Author's Strongly bound excitons in anatase TiO2 single crystals and nanoparticles‏
670 ‎‡a  Author's Structural and Electronic Properties of Low-Dimensional C-Nanoassemblies and Possible Analogues for Si‏
670 ‎‡a  Author's Structural and Electronic Properties of Low-Dimensional C-Nanoassemblies and Possible Analogues for Si (and Ge)‏
670 ‎‡a  Author's Structural and Optoelectronic Properties of Unsaturated ZnO and ZnS Nanoclusters‏
670 ‎‡a  Author's Structural and thermal properties of silicon-doped fullerenes‏
670 ‎‡a  Author's Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study‏
670 ‎‡a  Author's Substitution effects on the absorption spectra of nitrophenolate isomers‏
670 ‎‡a  Author's Substrate-interface interactions between carbon nanotubes and the supporting substrate‏
670 ‎‡a  Author's Supramolecular assembly of diplatinum species through weak Pt‏
670 ‎‡a  Author's Supramolecular assembly of diplatinum species through weak Pt(II)⋅⋅⋅Pt(II) intermolecular interactions: a combined experimental and computational study‏
670 ‎‡a  Author's Supramolecular Environment-Dependent Electronic Properties of Metal–Organic Interfaces‏
670 ‎‡a  Author's Surface charge model of a carbon nanotube: self-consistent field from Thomas–Fermi theory‏
670 ‎‡a  Author's Surface-state hole decay mechanisms: The Be‏
670 ‎‡a  Author's Surface-state hole decay mechanisms: The Be(0001) surface‏
670 ‎‡a  Author's Systematic construction of density functionals based on matrix product state computations‏
670 ‎‡a  Author's Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra‏
670 ‎‡a  Author's TDDFT-Based Study on the Proton-DNA Collision‏
670 ‎‡a  Author's TDDFT from molecules to solids: The role of long-range interactions‏
670 ‎‡a  Author's The challenge of predicting optical properties of biomolecules: What can we learn from time-dependent density-functional theory?‏
670 ‎‡a  Author's The doping of carbon nanotubes with nitrogen and their potential applications‏
670 ‎‡a  Author's The isolation of single MMX chains from solution: unravelling the assembly-disassembly process.‏
670 ‎‡a  Author's The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties‏
670 ‎‡a  Author's The Nature of Radiative Transitions in TiO2-Based Nanosheets‏
670 ‎‡a  Author's The phonon dispersion of graphite revisited‏
670 ‎‡a  Author's The physical and chemical properties of heteronanotubes‏
670 ‎‡a  Author's The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures.‏
670 ‎‡a  Author's The Soret absorption band of isolated chlorophyll a and b tagged with quaternary ammonium ions‏
670 ‎‡a  Author's Theory of graphitic boron nitride nanotubes‏
670 ‎‡a  Author's Thermoelectric properties of atomically thin silicene and germanene nanostructures‏
670 ‎‡a  Author's Tight-binding description of the quasiparticle dispersion of graphite and few-layer graphene‏
670 ‎‡a  Author's Time-dependent approach to electron pumping in open quantum systems‏
670 ‎‡a  Author's Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations‏
670 ‎‡a  Author's Time-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent Protein‏
670 ‎‡a  Author's Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules‏
670 ‎‡a  Author's Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project‏
670 ‎‡a  Author's Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays‏
670 ‎‡a  Author's Time-dependent density functional theory scheme for efficient calculations of dynamic‏
670 ‎‡a  Author's Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities.‏
670 ‎‡a  Author's Time-dependent exchange-correlation functional for a Hubbard dimer: Quantifying nonadiabatic effects‏
670 ‎‡a  Author's Time-Dependent Magnons from First Principles‏
670 ‎‡a  Author's Time-dependent quantum transport: A practical scheme using density functional theory‏
670 ‎‡a  Author's Time-Dependent Thermal Transport Theory.‏
670 ‎‡a  Author's Time-Dependent Transport Through Single Molecules: Nonequilibrium Green’s Functions‏
670 ‎‡a  Author's Time evolution of excitations in normal Fermi liquids‏
670 ‎‡a  Author's Towards a gauge invariant method for molecular chiroptical properties in TDDFT‏
670 ‎‡a  Author's Tracking electron motion within and outside of Floquet bands from attosecond pulse trains in time-resolved ARPES‏
670 ‎‡a  Author's Transient Charge and Energy Flow in the Wide-Band Limit.‏
670 ‎‡a  Author's Tunable Tesla-Scale Magnetic Attosecond Pulses through Ring-Current Gating‏
670 ‎‡a  Author's Tuning the conductance of single-walled carbon nanotubes by ion irradiation in the Anderson localization regime.‏
670 ‎‡a  Author's Ultrafast dynamical Lifshitz transition‏
670 ‎‡a  Author's Ultrafast electron-phonon decoupling in graphite‏
670 ‎‡a  Author's Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materials‏
670 ‎‡a  Author's Understanding Charge Transfer in Donor–Acceptor/Metal Systems: A Combined Theoretical and Experimental Study‏
670 ‎‡a  Author's Understanding energy-level alignment in donor-acceptor/metal interfaces from core-level shifts‏
670 ‎‡a  Author's Unified description of ground and excited states of finite systems: The self-consistentGWapproach‏
670 ‎‡a  Author's Universal Dynamical Steps in the Exact Time-Dependent Exchange-Correlation Potential‏
670 ‎‡a  Author's Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals‏
670 ‎‡a  Author's Universal steps in quantum dynamics with time-dependent potential-energy surfaces: Beyond the Born-Oppenheimer picture‏
670 ‎‡a  Author's Unoccupied states in Cu and Zn octaethyl-porphyrin and phthalocyanine‏
670 ‎‡a  Author's Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states‏
670 ‎‡a  Author's Unraveling the intrinsic color of chlorophyll‏
670 ‎‡a  Author's Unravelling the intertwined atomic and bulk nature of localised excitons by attosecond spectroscopy‏
670 ‎‡a  Author's Vibrational properties of boron-nitride nanotubes: effects of finite length and bundling‏
670 ‎‡a  Author's Vibrational Properties of Hexagonal Boron Nitride: Inelastic X-Ray Scattering andAb InitioCalculations‏
670 ‎‡a  Author's α- andβ-tricalcium phosphate: A density functional study‏
670 ‎‡a  wikidata authority control‏ ‎‡u  https://viaf.org/processed/DNB|1119830834‏
670 ‎‡a  wikidata authority control‏ ‎‡u  https://viaf.org/viaf/7068148037718588350004‏
670 ‎‡a  wikidata authority control‏ ‎‡u  https://viaf.org/processed/LC|nb2016024399‏
670 ‎‡a  wikidata site links‏ ‎‡u  https://arz.wikipedia.org/wiki/انخيل_روبيو‏
670 ‎‡a  wikidata site links‏ ‎‡u  https://de.wikipedia.org/wiki/Ángel_Rubio_(Physiker)‏
670 ‎‡a  wikidata site links‏ ‎‡u  https://en.wikipedia.org/wiki/Ángel_Rubio‏
670 ‎‡a  wikidata site links‏ ‎‡u  https://es.wikipedia.org/wiki/Ángel_Rubio_Secades‏
670 ‎‡a  wikidata site links‏ ‎‡u  https://ast.wikipedia.org/wiki/Ángel_Rubio_Secades‏
909 ‎‡a  (orcid) 0000000320603151‏ ‎‡9  1‏
919 ‎‡a  pressuredependenceofthelatticedynamicsofznoanabinitioapproach‏ ‎‡A  Pressure dependence of the lattice dynamics of ZnO: An ab initio approach‏ ‎‡9  2‏
919 ‎‡a  disentanglingvacancyoxidationonmetallicitysortedcarbonnanotubes‏ ‎‡A  Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes‏ ‎‡9  1‏
919 ‎‡a  13cnmrinvestigationofcarbonnanotubesandderivatives‏ ‎‡A  13C NMR investigation of carbon nanotubes and derivatives‏ ‎‡9  1‏
919 ‎‡a  combinedphotoemissionandabinitiostudyoftheelectronicstructureof6465enrichedsinglewallcarbonnanotubes‏ ‎‡A  A combined photoemission and ab initio study of the electronic structure of (6,4)/(6,5) enriched single wall carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  dynamiclandscapefromfemtosecondstominutesforexcesselectronsaticemetalinterfaces‏ ‎‡A  A Dynamic Landscape from Femtoseconds to Minutes for Excess Electrons at Ice−Metal Interfaces‏ ‎‡9  1‏
919 ‎‡a  1principlestimedependentdensityfunctionaltheoryframeworkforspinandtimeresolvedangularresolvedphotoelectronspectroscopyinperiodicsystems‏ ‎‡A  A First-Principles Time-Dependent Density Functional Theory Framework for Spin and Time-Resolved Angular-Resolved Photoelectron Spectroscopy in Periodic Systems‏ ‎‡9  1‏
919 ‎‡a  moleculardynamicsstudyofwaternucleationusingthetip4p2005model‏ ‎‡A  A molecular dynamics study of water nucleation using the TIP4P/2005 model‏ ‎‡9  1‏
919 ‎‡a  proposedfamilyofvariationallycorrelated1orderdensitymatricesforspinpolarized3electronmodelatoms‏ ‎‡A  A proposed family of variationally correlated first-order density matrices for spin-polarized three-electron model atoms‏ ‎‡9  1‏
919 ‎‡a  surveyoftheparallelperformanceandaccuracyofpoissonsolversforelectronicstructurecalculations‏ ‎‡A  A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations‏ ‎‡9  1‏
919 ‎‡a  tddftstudyoftheexcitedstatesofdnabasesandtheirassemblies‏ ‎‡A  A TDDFT study of the excited states of DNA bases and their assemblies‏ ‎‡9  1‏
919 ‎‡a  abinitiocalculationsofthelatticedynamicsofboronnitridenanotubes‏ ‎‡A  Ab initio calculations of the lattice dynamics of boron nitride nanotubes‏ ‎‡9  1‏
919 ‎‡a  abinitioclusterapproachforhighharmonicgenerationinliquids‏ ‎‡A  Ab Initio Cluster Approach for High Harmonic Generation in Liquids‏ ‎‡9  1‏
919 ‎‡a  abinitioelectronicandopticalspectraoffreebaseporphyrinstheroleofelectroniccorrelation‏ ‎‡A  Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation‏ ‎‡9  1‏
919 ‎‡a  abinitiomodellingofplasmonsinmetalsemiconductorbilayertransitionmetaldichalcogenideheterostructures‏ ‎‡A  Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures‏ ‎‡9  1‏
919 ‎‡a  abinitiooptimizedeffectivepotentialsforrealmoleculesinopticalcavitiesphotoncontributionstothemoleculargroundstate‏ ‎‡A  Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State.‏ ‎‡9  1‏
919 ‎‡a  abinitiosimulationofattosecondtransientabsorptionspectroscopyin2dimensionalmaterials‏ ‎‡A  Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials‏ ‎‡9  1‏
919 ‎‡a  abinitiostructuralelasticandvibrationalpropertiesofcarbonnanotubes‏ ‎‡A  Ab initio structural, elastic, and vibrational properties of carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  abinitiostudyoftheopticalabsorptionandwavevectordependentdielectricresponseofgraphite‏ ‎‡A  Ab initio study of the optical absorption and wave-vector-dependent dielectric response of graphite‏ ‎‡9  1‏
919 ‎‡a  abinitioangleandenergyresolvedphotoelectronspectroscopywithtimedependentdensityfunctionaltheory‏ ‎‡A  Ab initioangle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory‏ ‎‡9  1‏
919 ‎‡a  abinitiomoleculardynamicsontheelectronicboltzmannequilibriumdistribution‏ ‎‡A  Ab initiomolecular dynamics on the electronic Boltzmann equilibrium distribution‏ ‎‡9  1‏
919 ‎‡a  abinitionanoplasmonicstheimpactofatomicstructure‏ ‎‡A  Ab initionanoplasmonics: The impact of atomic structure‏ ‎‡9  1‏
919 ‎‡a  abinitiosimulationofheliumionmicroscopyimagesthecaseofsuspendedgraphene‏ ‎‡A  Ab initioSimulation of Helium-Ion Microscopy Images: The Case of Suspended Graphene‏ ‎‡9  1‏
919 ‎‡a  abinitiostudyofthedielectricresponseofcrystallineropesofmetallicsinglewalledcarbonnanotubestubediameterandhelicityeffects‏ ‎‡A  Ab initiostudy of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects‏ ‎‡9  1‏
919 ‎‡a  absorptionofbnnanotubesundertheinfluenceofaperpendicularelectricfield‏ ‎‡A  Absorption of BN nanotubes under the influence of a perpendicular electric field‏ ‎‡9  1‏
919 ‎‡a  absorptionspectraof4nitrophenolateionsmeasuredinvacuoandinsolution‏ ‎‡A  Absorption spectra of 4-nitrophenolate ions measured in vacuo and in solution‏ ‎‡9  1‏
919 ‎‡a  accuratebandmappingviaphotoemissionfromthinfilms‏ ‎‡A  Accurate band mapping via photoemission from thin films‏ ‎‡9  1‏
919 ‎‡a  accuraterelativisticrealtimetimedependentdensityfunctionaltheoryforvalenceandcoreattosecondtransientabsorptionspectroscopy‏ ‎‡A  Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy‏ ‎‡9  1‏
919 ‎‡a  adsorptionandelectronicexcitationofbiphenylonsi‏ ‎‡A  Adsorption and electronic excitation of biphenyl onSi‏ ‎‡9  1‏
919 ‎‡a  adsorptionandelectronicexcitationofbiphenylonsi100atheoreticalstmanalysis‏ ‎‡A  Adsorption and electronic excitation of biphenyl onSi(100): A theoretical STM analysis‏ ‎‡9  1‏
919 ‎‡a  adsorptionconformationandlateralregistryofcobaltporphineoncu‏ ‎‡A  Adsorption Conformation and Lateral Registry of Cobalt Porphine on Cu‏ ‎‡9  1‏
919 ‎‡a  adsorptionconformationandlateralregistryofcobaltporphineoncu111‏ ‎‡A  Adsorption Conformation and Lateral Registry of Cobalt Porphine on Cu(111)‏ ‎‡9  1‏
919 ‎‡a  advancedcorrelationfunctionalsapplicationtobulkmaterialsandlocalizedsystems‏ ‎‡A  Advanced correlation functionals: application to bulk materials and localized systems.‏ ‎‡9  1‏
919 ‎‡a  allopticalnonequilibriumpathwaytostabilisingmagneticweylsemimetalsinpyrochloreiridates‏ ‎‡A  All-optical nonequilibrium pathway to stabilising magnetic Weyl semimetals in pyrochlore iridates‏ ‎‡9  1‏
919 ‎‡a  issuededicatedtotheψkvolkerheineyounginvestigatoraward‏ ‎‡A  An issue dedicated to the Ψk Volker Heine Young Investigator Award*‏ ‎‡9  1‏
919 ‎‡a  andersonlocalizationincarbonnanotubesdefectdensityandtemperatureeffects‏ ‎‡A  Anderson Localization in Carbon Nanotubes: Defect Density and Temperature Effects‏ ‎‡9  1‏
919 ‎‡a  andersonlocalizationregimeincarbonnanotubessizedependentproperties‏ ‎‡A  Anderson localization regime in carbon nanotubes: size dependent properties‏ ‎‡9  1‏
919 ‎‡a  angleresolvedphotoemissionstudyofthegraphiteintercalationcompoundkc8akeytographene‏ ‎‡A  Angle-resolved photoemission study of the graphite intercalation compoundKC8: A key to graphene‏ ‎‡9  1‏
919 ‎‡a  anisotropicexcitoniceffectsintheenergylossfunctionofhexagonalboronnitride‏ ‎‡A  Anisotropic excitonic effects in the energy loss function of hexagonal boron nitride‏ ‎‡9  1‏
919 ‎‡a  anisotropyandinterplaneinteractionsinthedielectricresponseofgraphite‏ ‎‡A  Anisotropy and Interplane Interactions in the Dielectric Response of Graphite‏ ‎‡9  1‏
919 ‎‡a  anisotropyeffectsontheplasmonicresponseofnanoparticledimers‏ ‎‡A  Anisotropy Effects on the Plasmonic Response of Nanoparticle Dimers.‏ ‎‡9  1‏
919 ‎‡a  anomalousanisotropicexcitontemperaturedependenceinrutiletio2‏ ‎‡A  Anomalous anisotropic exciton temperature dependence in rutile TiO2‏ ‎‡9  1‏
919 ‎‡a  anomalousinsulatormetaltransitioninboronnitridegraphenehybridatomiclayers‏ ‎‡A  Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers‏ ‎‡9  1‏
919 ‎‡a  anomalousquasiparticlelifetimeingraphitebandstructureeffects‏ ‎‡A  Anomalous Quasiparticle Lifetime in Graphite: Band Structure Effects‏ ‎‡9  1‏
919 ‎‡a  applicationoftherealtimetimedependentdensityfunctionaltheorytoexcitedstatedynamicsofmoleculesand2dmaterials‏ ‎‡A  Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials‏ ‎‡9  1‏
919 ‎‡a  aretherereallycooperpairsandpersistentcurrentsinaromaticmolecules‏ ‎‡A  Are there really cooper pairs and persistent currents in aromatic molecules?‏ ‎‡9  1‏
919 ‎‡a  artificiallystackedatomiclayerstowardnewvanderwaalssolids‏ ‎‡A  Artificially Stacked Atomic Layers: Toward New van der Waals Solids‏ ‎‡9  1‏
919 ‎‡a  assessmentofdressedtimedependentdensityfunctionaltheoryforthelowlyingvalencestatesof28organicchromophores‏ ‎‡A  Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophores‏ ‎‡9  1‏
919 ‎‡a  asymptoticsofthedispersioninteractionanalyticbenchmarksforvanderwaalsenergyfunctionals‏ ‎‡A  Asymptotics of the Dispersion Interaction: Analytic Benchmarks for van der Waals Energy Functionals‏ ‎‡9  1‏
919 ‎‡a  atomicandelectronicpropertiesofquasi1dimensionalmos2nanowires‏ ‎‡A  Atomic and electronic properties of quasi-one-dimensional MOS2 nanowires‏ ‎‡9  1‏
919 ‎‡a  atomiclikehighharmonicgenerationfrom2dimensionalmaterials‏ ‎‡A  Atomic-like high-harmonic generation from two-dimensional materials‏ ‎‡9  1‏
919 ‎‡a  atomicstructureofthe33phaseofsiliceneonag‏ ‎‡A  Atomic structure of the3×3phase of silicene on Ag‏ ‎‡9  1‏
919 ‎‡a  atomicstructureofthe33phaseofsiliceneonag111‏ ‎‡A  Atomic structure of the3×3phase of silicene on Ag(111)‏ ‎‡9  1‏
919 ‎‡a  atomisticsimulationofthelaserinduceddamageinsinglewallcarbonnanotubesdiameterandchiralitydependence‏ ‎‡A  Atomistic simulation of the laser induced damage in single wall carbon nanotubes: Diameter and chirality dependence‏ ‎‡9  1‏
919 ‎‡a  atomsandmoleculesincavitiesfromweaktostrongcouplinginquantumelectrodynamicsqedchemistry‏ ‎‡A  Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry‏ ‎‡9  1‏
919 ‎‡a  attosecondcontrolofdissociativeionizationofo2molecules‏ ‎‡A  Attosecond control of dissociative ionization of O2molecules‏ ‎‡9  1‏
919 ‎‡a  attosecondmagnetizationdynamicsinnonmagneticmaterialsdrivenbyintensefemtosecondlasers‏ ‎‡A  Attosecond magnetization dynamics in non-magnetic materials driven by intense femtosecond lasers‏ ‎‡9  1‏
919 ‎‡a  attosecondopticalfieldenhancedcarrierinjectionintothegaasconductionband‏ ‎‡A  Attosecond optical-field-enhanced carrier injection into the GaAs conduction band‏ ‎‡9  1‏
919 ‎‡a  attosecondscreeningdynamicsmediatedbyelectronlocalizationintransitionmetals‏ ‎‡A  Attosecond screening dynamics mediated by electron localization in transition metals‏ ‎‡9  1‏
919 ‎‡a  authorcorrectionpolycyclicaromaticchainsonmetalsandinsulatinglayersbyrepetitivecycloadditions‏ ‎‡A  Author Correction: Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions‏ ‎‡9  1‏
919 ‎‡a  basisseteffectsonthehyperpolarizabilityofchcl3gaussiantypeorbitalsnumericalbasissetsandrealspacegrids‏ ‎‡A  Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids‏ ‎‡9  1‏
919 ‎‡a  benchmarkofgwmethodsforazabenzenes‏ ‎‡A  Benchmark ofGWmethods for azabenzenes‏ ‎‡9  1‏
919 ‎‡a  benchmarkingsemiclassicalandperturbativemethodsforrealtimesimulationsofcavityboundemissionandinterference‏ ‎‡A  Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference‏ ‎‡9  1‏
919 ‎‡a  bilayersns2tunablestackingsequencebychargingandloadingpressure‏ ‎‡A  BilayerSnS2: Tunable stacking sequence by charging and loading pressure‏ ‎‡9  1‏
919 ‎‡a  bimodalsupramolecularfunctionalizationofcarbonnanotubestriggeredbycovalentbondformation‏ ‎‡A  Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation‏ ‎‡9  1‏
919 ‎‡a  bondbreakingandbondformationhowelectroncorrelationiscapturedinmanybodyperturbationtheoryanddensityfunctionaltheory‏ ‎‡A  Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory‏ ‎‡9  1‏
919 ‎‡a  boronquasicrystalsandboronnanotubesabinitiostudyofvariousb96isomers‏ ‎‡A  Boron Quasicrystals and Boron Nanotubes: Ab Initio Study of Various B96 Isomers‏ ‎‡9  1‏
919 ‎‡a  boundexcitonsintimedependentdensityfunctionaltheoryopticalandenergylossspectra‏ ‎‡A  Bound Excitons in Time-Dependent Density-Functional Theory: Optical and Energy-Loss Spectra‏ ‎‡9  1‏
919 ‎‡a  calculationoftheopticalspectrumoftheti8c12andv8c12metcars‏ ‎‡A  Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars‏ ‎‡9  1‏
919 ‎‡a  cancooperpairsinbenzeneleadtoefimovstates‏ ‎‡A  Can Cooper pairs in benzene lead to Efimov states?‏ ‎‡9  1‏
919 ‎‡a  canphotoexcitationshealdefectsincarbonnanotubes‏ ‎‡A  Can photo excitations heal defects in carbon nanotubes?‏ ‎‡9  1‏
919 ‎‡a  carbonnanotubesasheatdissipatersinmicroelectronics‏ ‎‡A  Carbon nanotubes as heat dissipaters in microelectronics‏ ‎‡9  1‏
919 ‎‡a  cavitybornoppenheimerapproximationforcorrelatedelectronnuclearphotonsystems‏ ‎‡A  Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems‏ ‎‡9  1‏
919 ‎‡a  cavityquantumelectrodynamicalpolaritonicallyenhancedelectronphononcouplinganditsinfluenceonsuperconductivity‏ ‎‡A  Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity‏ ‎‡9  1‏
919 ‎‡a  challengesintruncatingthehierarchyoftimedependentreduceddensitymatricesequations‏ ‎‡A  Challenges in truncating the hierarchy of time-dependent reduced density matrices equations‏ ‎‡9  1‏
919 ‎‡a  changeinanalyticstructureof1orderdensitymatrixasafunctionalofelectrondensityduetointerparticlecorrelationa2electronmodelexample‏ ‎‡A  Change in analytic structure of first-order density matrix as a functional of electron density due to inter-particle correlation: a two-electron model example‏ ‎‡9  1‏
919 ‎‡a  channelingofchargecarrierplasmonsincarbonnanotubes‏ ‎‡A  Channeling of charge carrier plasmons in carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  chapter10timedependenttransportphenomena‏ ‎‡A  Chapter 10 Time-dependent transport phenomena‏ ‎‡9  1‏
919 ‎‡a  chargetransferintimedependentdensityfunctionaltheoryviaspinsymmetrybreaking‏ ‎‡A  Charge transfer in time-dependent density-functional theory via spin-symmetry breaking‏ ‎‡9  1‏
919 ‎‡a  chargetransferplasmonpolaritonsatgraphene1rucl3interfaces‏ ‎‡A  Charge-Transfer Plasmon Polaritons at Graphene/α-RuCl3 Interfaces‏ ‎‡9  1‏
919 ‎‡a  chargetransferplasmonpolaritonsatgrapheneαrucl3interfaces‏ ‎‡A  Charge-Transfer Plasmon Polaritons at Graphene/α-RuCl3 Interfaces‏ ‎‡9  1‏
919 ‎‡a  clustersurfaceandclusterclusterinteractionsabinitiocalculationsandmodelingofasymptoticvanderwaalsforces‏ ‎‡A  Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces‏ ‎‡9  1‏
919 ‎‡a  coherentquantumswitchdrivenbyoptimizedlaserpulses‏ ‎‡A  Coherent quantum switch driven by optimized laser pulses‏ ‎‡9  1‏
919 ‎‡a  coherentultrafastchargetransferinanorganicphotovoltaicblend‏ ‎‡A  Coherent ultrafast charge transfer in an organic photovoltaic blend‏ ‎‡9  1‏
919 ‎‡a  combinedexperimentalandabinitiostudyoftheelectronicstructureofnarrowdiametersinglewallcarbonnanotubeswithpredominant6465chirality‏ ‎‡A  Combined experimental andab initiostudy of the electronic structure of narrow-diameter single-wall carbon nanotubes with predominant (6,4),(6,5) chirality‏ ‎‡9  1‏
919 ‎‡a  commentonbandgapprobleminsemiconductorsrevisitedeffectsofcorestatesandmanybodyselfconsistency‏ ‎‡A  Comment on “Band-Gap Problem in Semiconductors Revisited: Effects of Core States and Many-Body Self-Consistency”‏ ‎‡9  1‏
919 ‎‡a  communicationsystematicshiftsofthelowestunoccupiedmolecularorbitalpeakin10rayabsorptionforaseriesof3dmetalporphyrins‏ ‎‡A  Communication: Systematic shifts of the lowest unoccupied molecular orbital peak in x-ray absorption for a series of 3d metal porphyrins‏ ‎‡9  1‏
919 ‎‡a  communicationsnanomagneticshieldinghighresolutionnmrincarbonallotropes‏ ‎‡A  Communications: Nanomagnetic shielding: High-resolution NMR in carbon allotropes‏ ‎‡9  1‏
919 ‎‡a  comparingquasiparticleh2olevelalignmentonanataseandrutiletio2‏ ‎‡A  Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2‏ ‎‡9  1‏
919 ‎‡a  computingc1s10rayabsorptionforsinglewalledcarbonnanotubeswithdistinctelectronictype‏ ‎‡A  Computing C1 s X-ray Absorption for Single-Walled Carbon Nanotubes with Distinct Electronic Type‏ ‎‡9  1‏
919 ‎‡a  conditionalbornoppenheimerdynamicsquantumdynamicssimulationsforthemodelporphine‏ ‎‡A  Conditional Born–Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine‏ ‎‡9  1‏
919 ‎‡a  conditionalwavefunctiontheoryaunifiedtreatmentofmolecularstructureandnonadiabaticdynamics‏ ‎‡A  Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics‏ ‎‡9  1‏
919 ‎‡a  conductanceofsidewallfunctionalizedcarbonnanotubesuniversaldependenceonadsorptionsites‏ ‎‡A  Conductance of Sidewall-Functionalized Carbon Nanotubes: Universal Dependence on Adsorption Sites‏ ‎‡9  1‏
919 ‎‡a  confinedlinearcarbonchainsasaroutetobulkcarbyne‏ ‎‡A  Confined linear carbon chains as a route to bulk carbyne‏ ‎‡9  1‏
919 ‎‡a  conservinggwschemefornonequilibriumquantumtransportinmolecularcontacts‏ ‎‡A  ConservingGWscheme for nonequilibrium quantum transport in molecular contacts‏ ‎‡9  1‏
919 ‎‡a  controllingheatandparticlecurrentsinnanodevicesbyquantumobservation‏ ‎‡A  Controlling heat and particle currents in nanodevices by quantum observation‏ ‎‡9  1‏
919 ‎‡a  copperphthalocyaninebasedmetalorganicinterfacestheeffectoffluorinationthesubstrateanditssymmetry‏ ‎‡A  Copper-phthalocyanine based metal-organic interfaces: the effect of fluorination, the substrate, and its symmetry‏ ‎‡9  1‏
919 ‎‡a  correlatedelectronnucleardynamicswithconditionalwavefunctions‏ ‎‡A  Correlated electron-nuclear dynamics with conditional wave functions.‏ ‎‡9  1‏
919 ‎‡a  correlatedelectronicphasesintwistedbilayertransitionmetaldichalcogenides‏ ‎‡A  Correlated electronic phases in twisted bilayer transition metal dichalcogenides‏ ‎‡9  1‏
919 ‎‡a  correlationeffectsintheopticalspectraofporphyrinoligomerchainsexcitonconfinementandlengthdependence‏ ‎‡A  Correlation effects in the optical spectra of porphyrin oligomer chains: exciton confinement and length dependence.‏ ‎‡9  1‏
919 ‎‡a  coulombexplosionofdeuteriumcationicclusters‏ ‎‡A  Coulomb explosion of deuterium cationic clusters‏ ‎‡9  1‏
919 ‎‡a  couplingofexcitonsanddefectstatesinboronnitridenanostructures‏ ‎‡A  Coupling of excitons and defect states in boron-nitride nanostructures‏ ‎‡9  1‏
919 ‎‡a  covalent100nbondformationthroughasurfacecatalyzedthermalcyclodehydrogenation‏ ‎‡A  Covalent C-N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation‏ ‎‡9  1‏
919 ‎‡a  creatingstablefloquetweylsemimetalsbylaserdrivingof3ddiracmaterials‏ ‎‡A  Creating stable Floquet-Weyl semimetals by laser-driving of 3D Dirac materials‏ ‎‡9  1‏
919 ‎‡a  crossconjugationvslinearconjugationindonorbridgeacceptornitrophenolchromophores‏ ‎‡A  Cross-Conjugation vs. Linear Conjugation in Donor-Bridge-Acceptor Nitrophenol Chromophores‏ ‎‡9  1‏
919 ‎‡a  customizedelectroniccouplinginselfassembleddonoraacceptornanostructures‏ ‎‡A  Customized Electronic Coupling in Self-Assembled Donorâ Acceptor Nanostructures‏ ‎‡9  1‏
919 ‎‡a  densityfunctionaltheorybeyondthelinearregimevalidatinganadiabaticlocaldensityapproximation‏ ‎‡A  Density functional theory beyond the linear regime: Validating an adiabatic local density approximation‏ ‎‡9  1‏
919 ‎‡a  densityfunctionaltheoryforfelectronsystemstheαγphasetransitionincerium‏ ‎‡A  Density-Functional Theory forf-Electron Systems: Theα−γPhase Transition in Cerium‏ ‎‡9  1‏
919 ‎‡a  densityfunctionaltheorystudyoftheαγphasetransitioninceriumroleofelectroncorrelationandforbitallocalization‏ ‎‡A  Density functional theory study of theα−γphase transition in cerium: Role of electron correlation andf-orbital localization‏ ‎‡9  1‏
919 ‎‡a  densityfunctionalsfrommanybodyperturbationtheorythebandgapforsemiconductorsandinsulators‏ ‎‡A  Density functionals from many-body perturbation theory: The band gap for semiconductors and insulators‏ ‎‡9  1‏
919 ‎‡a  densitymatrixtheoryforthegroundstateofspincompensatedharmonicallyconfined2electronmodelatomswithgeneralinterparticlerepulsion‏ ‎‡A  Density-matrix theory for the ground state of spin-compensated harmonically confined two-electron model atoms with general interparticle repulsion‏ ‎‡9  1‏
919 ‎‡a  designofsolarcellmaterialsviasoft10rayspectroscopy‏ ‎‡A  Design of solar cell materials via soft X-ray spectroscopy‏ ‎‡9  1‏
919 ‎‡a  designof2photonmoleculartandemarchitecturesforsolarcellsbyabinitiotheory‏ ‎‡A  Design of two-photon molecular tandem architectures for solar cells by ab initio theory‏ ‎‡9  1‏
919 ‎‡a  designingmultifunctionalchemicalsensorsusing2andcudopedcarbonnanotubes‏ ‎‡A  Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  dielectricscreeningin2dimensionalinsulatorsimplicationsforexcitonicandimpuritystatesingraphane‏ ‎‡A  Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane‏ ‎‡9  1‏
919 ‎‡a  differentialvirialtheoreminrelationtoasumrulefortheexchangecorrelationforceindensityfunctionaltheory‏ ‎‡A  Differential virial theorem in relation to a sum rule for the exchange-correlation force in density-functional theory.‏ ‎‡9  1‏
919 ‎‡a  directimagingofcovalentbondstructureinsinglemoleculechemicalreactions‏ ‎‡A  Direct imaging of covalent bond structure in single-molecule chemical reactions.‏ ‎‡9  1‏
919 ‎‡a  directobservationofthemechanicalpropertiesofsinglewalledcarbonnanotubesandtheirjunctionsattheatomiclevel‏ ‎‡A  Direct Observation of the Mechanical Properties of Single-Walled Carbon Nanotubes and Their Junctions at the Atomic Level‏ ‎‡9  1‏
919 ‎‡a  dopedgrapheneastunableelectronphononcouplingmaterial‏ ‎‡A  Doped Graphene as Tunable Electron−Phonon Coupling Material‏ ‎‡9  1‏
919 ‎‡a  doublebondversustriplebondbridgesdoesitmatterforthechargetransferabsorptionbydonoracceptorchromophores‏ ‎‡A  Double-Bond versus Triple-Bond Bridges: Does it Matter for the Charge-Transfer Absorption by Donor-Acceptor Chromophores?‏ ‎‡9  1‏
919 ‎‡a  dynamicalprocessesinopenquantumsystemsfromatddftperspectiveresonancesandelectronphotoemission‏ ‎‡A  Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photoemission‏ ‎‡9  1‏
919 ‎‡a  dynamicsofchargetransferprocesseswithtimedependentdensityfunctionaltheory‏ ‎‡A  Dynamics of Charge-Transfer Processes with Time-Dependent Density Functional Theory‏ ‎‡9  1‏
919 ‎‡a  effectofasinglewatermoleculeontheelectronicabsorptionbyoandpnitrophenolateashifttotheredortotheblue‏ ‎‡A  Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue?‏ ‎‡9  1‏
919 ‎‡a  effectofmanymodesonselfpolarizationandphotochemicalsuppressionincavities‏ ‎‡A  Effect of many modes on self-polarization and photochemical suppression in cavities‏ ‎‡9  1‏
919 ‎‡a  effectofspatialnonlocalityonthedensityfunctionalbandgap‏ ‎‡A  Effect of spatial nonlocality on the density functional band gap‏ ‎‡9  1‏
919 ‎‡a  efficientandaccuratemodelingofelectronphotoemissioninnanostructureswithtddft‏ ‎‡A  Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT‏ ‎‡9  1‏
919 ‎‡a  efficientformalismforlargescaleabinitiomoleculardynamicsbasedontimedependentdensityfunctionaltheory‏ ‎‡A  Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory.‏ ‎‡9  1‏
919 ‎‡a  efficientgatetunablelightemittingdevicemadeofdefectiveboronnitridenanotubesfromultraviolettothevisible‏ ‎‡A  Efficient gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible‏ ‎‡9  1‏
919 ‎‡a  elasticpropertiesof100andbxcynzcompositenanotubes‏ ‎‡A  Elastic Properties of C andBxCyNzComposite Nanotubes‏ ‎‡9  1‏
919 ‎‡a  electricaltransportincarbonnanotubesroleofdisorderandhelicalsymmetries‏ ‎‡A  Electrical transport in carbon nanotubes: Role of disorder and helical symmetries‏ ‎‡9  1‏
919 ‎‡a  electronelectroncorrelationingraphiteacombinedangleresolvedphotoemissionand1principlesstudy‏ ‎‡A  Electron-electron correlation in graphite: a combined angle-resolved photoemission and first-principles study‏ ‎‡9  1‏
919 ‎‡a  electronlinewidthsofwidegapinsulatorsexcitoniceffectsinlif‏ ‎‡A  Electron linewidths of wide-gap insulators: Excitonic effects inLiF‏ ‎‡9  1‏
919 ‎‡a  electronphonondriven3dimensionalmetallicityinaninsulatingcuprate‏ ‎‡A  Electron-phonon-driven three-dimensional metallicity in an insulating cuprate‏ ‎‡9  1‏
919 ‎‡a  electronicandcrystallographicstructureofapatites‏ ‎‡A  Electronic and crystallographic structure of apatites‏ ‎‡9  1‏
919 ‎‡a  electronicandmagneticpropertiesofnis2nisseandnise2byacombinationoftheoreticalmethods‏ ‎‡A  Electronic and magnetic properties of NiS2, NiSSe and NiSe2 by a combination of theoretical methods‏ ‎‡9  1‏
919 ‎‡a  electronicbandgapsofconfinedlinearcarbonchainsrangingfrompolyynetocarbyne‏ ‎‡A  Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne‏ ‎‡9  1‏
919 ‎‡a  electronicexcitationsdensityfunctionalversusmanybodygreensfunctionapproaches‏ ‎‡A  Electronic excitations: density-functional versus many-body Green’s-function approaches‏ ‎‡9  1‏
919 ‎‡a  electronicnonadiabaticdynamicsinenhancedionizationofisotopologuesofhydrogenmolecularionsfromtheexactfactorizationperspective‏ ‎‡A  Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective‏ ‎‡9  1‏
919 ‎‡a  electronicpropertiesofmolecularsolidsthepeculiarcaseofsolidpicene‏ ‎‡A  Electronic properties of molecular solids: the peculiar case of solid picene‏ ‎‡9  1‏
919 ‎‡a  electronicstatesinafinitecarbonnanotubea1dimensionalquantumbox‏ ‎‡A  Electronic States in a Finite Carbon Nanotube: A One-Dimensional Quantum Box‏ ‎‡9  1‏
919 ‎‡a  electronicstructureandelectronphononcouplingofdopedgraphenelayersinkc8‏ ‎‡A  Electronic structure and electron-phonon coupling of doped graphene layers inKC8‏ ‎‡9  1‏
919 ‎‡a  electronicstructureandexcitationsinoligoacenesfromabinitiocalculations‏ ‎‡A  Electronic structure and excitations in oligoacenes from ab initio calculations‏ ‎‡9  1‏
919 ‎‡a  electronicstructureoffevsrubaseddyemolecules‏ ‎‡A  Electronic structure of Fe- vs. Ru-based dye molecules‏ ‎‡9  1‏
919 ‎‡a  electronicstructureofsiliceneonag‏ ‎‡A  Electronic structure of silicene on Ag‏ ‎‡9  1‏
919 ‎‡a  electronicstructureofsiliceneonag111stronghybridizationeffects‏ ‎‡A  Electronic structure of silicene on Ag(111): Strong hybridization effects‏ ‎‡9  1‏
919 ‎‡a  ellipticitydependenceofhighharmonicgenerationinsolidsoriginatingfromcoupledintrabandandinterbanddynamics‏ ‎‡A  Ellipticity dependence of high-harmonic generation in solids originating from coupled intraband and interband dynamics‏ ‎‡9  1‏
919 ‎‡a  emergentelemental2dimensionalmaterialsbeyondgraphene‏ ‎‡A  Emergent elemental two-dimensional materials beyond graphene‏ ‎‡9  1‏
919 ‎‡a  engineeringphotophenomenainlarge3dstructurescomposedofselfassembledvanderwaalsheterostructureflakes‏ ‎‡A  Engineering Photophenomena in Large, 3D Structures Composed of Self-Assembled van der Waals Heterostructure Flakes‏ ‎‡9  1‏
919 ‎‡a  engineeringquantummaterialswithchiralopticalcavities‏ ‎‡A  Engineering quantum materials with chiral optical cavities‏ ‎‡9  1‏
919 ‎‡a  enhancedexcitoniceffectsintheenergylossspectraoflifandaratlargemomentumtransfer‏ ‎‡A  Enhanced excitonic effects in the energy loss spectra of LiF and Ar at large momentum transfer‏ ‎‡9  1‏
919 ‎‡a  enhancedthermoelectricpropertiesinhybridgrapheneboronnitridenanoribbons‏ ‎‡A  Enhanced thermoelectric properties in hybrid graphene/boron nitride nanoribbons‏ ‎‡9  1‏
919 ‎‡a  enhancingandcontrollingsingleatomhighharmonicgenerationspectraatimedependentdensityfunctionalscheme‏ ‎‡A  Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme‏ ‎‡9  1‏
919 ‎‡a  erratumtointroductiontothephysicsofsiliceneandother2dmaterials‏ ‎‡A  Erratum to: Introduction to the Physics of Silicene and other 2D Materials‏ ‎‡9  1‏
919 ‎‡a  evidenceofalowcompressibilitycarbonnitridewithdefectzincblendestructure‏ ‎‡A  Evidence of a low compressibility carbon nitride with defect-zincblende structure‏ ‎‡9  1‏
919 ‎‡a  exactcorrelatedkineticenergyrelatedtotheelectrondensityfor2electronmodelatomswithharmonicconfinement‏ ‎‡A  Exact correlated kinetic energy related to the electron density for two-electron model atoms with harmonic confinement‏ ‎‡9  1‏
919 ‎‡a  exactcoulombcutofftechniqueforsupercellcalculations‏ ‎‡A  Exact Coulomb cutoff technique for supercell calculations‏ ‎‡9  1‏
919 ‎‡a  exactfunctionalsforcorrelatedelectronphotonsystems‏ ‎‡A  Exact functionals for correlated electron–photon systems‏ ‎‡9  1‏
919 ‎‡a  exactkohnshampotentialofstronglycorrelatedfinitesystems‏ ‎‡A  Exact Kohn-Sham potential of strongly correlated finite systems.‏ ‎‡9  1‏
919 ‎‡a  exactmapsindensityfunctionaltheoryforlatticemodels‏ ‎‡A  Exact maps in density functional theory for lattice models‏ ‎‡9  1‏
919 ‎‡a  exacttimeevolutionofthepairdistributionfunctionforanentangled2electroninitialstate‏ ‎‡A  Exact time evolution of the pair distribution function for an entangled two-electron initial state‏ ‎‡9  1‏
919 ‎‡a  excitedstatesdynamicsintimedependentdensityfunctionaltheory‏ ‎‡A  Excited states dynamics in time-dependent density functional theory‏ ‎‡9  1‏
919 ‎‡a  excitedstatesofthegreenfluorescentproteinchromophoreperformanceofabinitioandsemiempiricalmethods‏ ‎‡A  Excited states of the green fluorescent protein chromophore: Performance of ab initio and semi-empirical methods‏ ‎‡9  1‏
919 ‎‡a  excitoncontrolinaroomtemperaturebulksemiconductorwithcoherentstrainpulses‏ ‎‡A  Exciton control in a room temperature bulk semiconductor with coherent strain pulses‏ ‎‡9  1‏
919 ‎‡a  excitondispersioninmolecularsolids‏ ‎‡A  Exciton dispersion in molecular solids‏ ‎‡9  1‏
919 ‎‡a  excitoniceffectsinsolidsdescribedbytimedependentdensityfunctionaltheory‏ ‎‡A  Excitonic effects in solids described by time-dependent density-functional theory.‏ ‎‡9  1‏
919 ‎‡a  excitonsinboronnitridenanotubesdimensionalityeffects‏ ‎‡A  Excitons in Boron Nitride Nanotubes: Dimensionality Effects‏ ‎‡9  1‏
919 ‎‡a  excitonsinmolecularcrystalsfrom1principlesmanybodyperturbationtheorypiceneversuspentacene‏ ‎‡A  Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene‏ ‎‡9  1‏
919 ‎‡a  fastelectrontransferkineticsonmultiwalledcarbonnanotubemicrobundleelectrodes‏ ‎‡A  Fast Electron Transfer Kinetics on Multiwalled Carbon Nanotube Microbundle Electrodes‏ ‎‡9  1‏
919 ‎‡a  femtosecondexcitondynamicsinwse2opticalwaveguides‏ ‎‡A  Femtosecond exciton dynamics in WSe2 optical waveguides‏ ‎‡9  1‏
919 ‎‡a  femtosecondlaserpulseshapingforenhancedionization‏ ‎‡A  Femtosecond laser pulse shaping for enhanced ionization‏ ‎‡9  1‏
919 ‎‡a  fermigapstabilizationofanincommensurate2dimensionalsuperstructure‏ ‎‡A  Fermi Gap Stabilization of an Incommensurate Two-Dimensional Superstructure‏ ‎‡9  1‏
919 ‎‡a  fermivelocityrenormalizationindopedgraphene‏ ‎‡A  Fermi velocity renormalization in doped graphene‏ ‎‡9  1‏
919 ‎‡a  fingerprintsofbondingmotifsindnaduplexesofadenineandthyminerevealedfromcirculardichroismsynchrotronradiationexperimentsandtddftcalculations‏ ‎‡A  Fingerprints of bonding motifs in DNA duplexes of adenine and thymine revealed from circular dichroism: synchrotron radiation experiments and TDDFT calculations.‏ ‎‡9  1‏
919 ‎‡a  1principlescalculationsofhotelectronlifetimesinmetals‏ ‎‡A  First-principles calculations of hot-electron lifetimes in metals‏ ‎‡9  1‏
919 ‎‡a  1principlesdescriptionofchargetransferindonoracceptorcompoundsfromselfconsistentmanybodyperturbationtheory‏ ‎‡A  First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory‏ ‎‡9  1‏
919 ‎‡a  1principlesdescriptionofcorrelationeffectsinlayeredmaterials‏ ‎‡A  First-principles description of correlation effects in layered materials.‏ ‎‡9  1‏
919 ‎‡a  1principlessimulationsforattosecondphotoelectronspectroscopybasedontimedependentdensityfunctionaltheory‏ ‎‡A  First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory‏ ‎‡9  1‏
919 ‎‡a  1principlessimulationsofchemicalreactionsinanhclmoleculeembeddedinsidea100orbnnanotubeinducedbyultrafastlaserpulses‏ ‎‡A  First-principles simulations of chemical reactions in an HCl molecule embedded inside a C or BN nanotube induced by ultrafast laser pulses‏ ‎‡9  1‏
919 ‎‡a  forcebalanceapproachforadvancedapproximationsindensityfunctionaltheories‏ ‎‡A  Force balance approach for advanced approximations in density functional theories‏ ‎‡9  1‏
919 ‎‡a  formationandelectronicpropertiesofbc3singlewallnanotubesuponboronsubstitutionofcarbonnanotubes‏ ‎‡A  Formation and electronic properties ofBC3single-wall nanotubes upon boron substitution of carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  forsterinducedenergytransferinfunctionalizedgraphene‏ ‎‡A  Förster-Induced Energy Transfer in Functionalized Graphene‏ ‎‡9  1‏
919 ‎‡a  4electronsinteractingpairwiseinthelimitofinfinitesimalconfiningpotentialsespeciallythequintetspinstate‏ ‎‡A  Four electrons interacting pairwise in the limit of infinitesimal confining potentials: Especially the quintet spin state‏ ‎‡9  1‏
919 ‎‡a  frenkelversuschargetransferexcitondispersioninmolecularcrystals‏ ‎‡A  Frenkel versus charge-transfer exciton dispersion in molecular crystals‏ ‎‡9  1‏
919 ‎‡a  frequencydependentelectricaltransportincarbonnanotubes‏ ‎‡A  Frequency-dependent electrical transport in carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  frequencydependentsternheimerlinearresponseformalismforstronglycoupledlightmattersystems‏ ‎‡A  Frequency-Dependent Sternheimer Linear-Response Formalism for Strongly Coupled Light–Matter Systems‏ ‎‡9  1‏
919 ‎‡a  fromaquantumelectrodynamicallightmatterdescriptiontonovelspectroscopies‏ ‎‡A  From a quantum-electrodynamical light–matter description to novel spectroscopies‏ ‎‡9  1‏
919 ‎‡a  generationandevolutionofspinvalleyandlayerpolarizedexcitedcarriersininversionsymmetricwse2‏ ‎‡A  Generation and Evolution of Spin-, Valley-, and Layer-Polarized Excited Carriers in Inversion-Symmetric WSe_{2}.‏ ‎‡9  1‏
919 ‎‡a  germaneneanovel2dimensionalgermaniumallotropeakintographeneandsilicene‏ ‎‡A  Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene‏ ‎‡9  1‏
919 ‎‡a  goldandmethaneanoblecombinationfordelicateoxidation‏ ‎‡A  Gold and Methane: A Noble Combination for Delicate Oxidation‏ ‎‡9  1‏
919 ‎‡a  halnmg‏ ‎‡A  h-AlN-Mg‏ ‎‡9  1‏
919 ‎‡a  halnmg52vanderwaalsbilayerheterostructuretuningtheexcitoniccharacteristics‏ ‎‡A  h-AlN-Mg(OH)2 van der Waals bilayer heterostructure: Tuning the excitonic characteristics‏ ‎‡9  1‏
919 ‎‡a  highenergycollectiveelectronicexcitationsinlayeredtransitionmetaldichalcogenides‏ ‎‡A  High-energy collective electronic excitations in layered transition-metal dichalcogenides‏ ‎‡9  1‏
919 ‎‡a  highharmonicgenerationfromspinpolariseddefectsinsolids‏ ‎‡A  High-harmonic generation from spin-polarised defects in solids‏ ‎‡9  1‏
919 ‎‡a  highpressurephasesofgroup435and26compounds‏ ‎‡A  High-pressure phases of group-IV, III–V, and II–VI compounds‏ ‎‡9  1‏
919 ‎‡a  holedynamicsinnoblemetals‏ ‎‡A  Hole Dynamics in Noble Metals‏ ‎‡9  1‏
919 ‎‡a  hotelectronassistedfemtochemistryatsurfacesatimedependentdensityfunctionaltheoryapproach‏ ‎‡A  Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach‏ ‎‡9  1‏
919 ‎‡a  hydrogenationofc60inpeapodsphysicalchemistryinnanovessels‏ ‎‡A  Hydrogenation of C60in Peapods: Physical Chemistry in Nano Vessels‏ ‎‡9  1‏
919 ‎‡a  identificationofstructuralmotifsastunneling2levelsystemsinamorphousaluminaatlowtemperatures‏ ‎‡A  Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperatures‏ ‎‡9  1‏
919 ‎‡a  imagingsinglemoleculereactionintermediatesstabilizedbysurfacedissipationandentropy‏ ‎‡A  Imaging single-molecule reaction intermediates stabilized by surface dissipation and entropy‏ ‎‡9  1‏
919 ‎‡a  impactoftheelectronicbandstructureinhighharmonicgenerationspectraofsolids‏ ‎‡A  Impact of the Electronic Band Structure in High-Harmonic Generation Spectra of Solids.‏ ‎‡9  1‏
919 ‎‡a  inelasticlifetimesofhotelectronsinrealmetals‏ ‎‡A  Inelastic Lifetimes of Hot Electrons in Real Metals‏ ‎‡9  1‏
919 ‎‡a  influenceofaxialandperipheralligandsontheelectronicstructureoftitaniumphthalocyanines‏ ‎‡A  Influence of Axial and Peripheral Ligands on the Electronic Structure of Titanium Phthalocyanines‏ ‎‡9  1‏
919 ‎‡a  influenceofpackingonthevibrationalpropertiesofinfiniteandfinitebundlesofcarbonnanotubes‏ ‎‡A  Influence of packing on the vibrational properties of infinite and finite bundles of carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  influenceofsandpdopinginagraphenesheet‏ ‎‡A  Influence of S and P Doping in a Graphene Sheet‏ ‎‡9  1‏
919 ‎‡a  infraredplasmonspropagatethroughahyperbolicnodalmetal‏ ‎‡A  Infrared plasmons propagate through a hyperbolic nodal metal‏ ‎‡9  1‏
919 ‎‡a  initialstageofquasiparticledecayinfermionicsystems‏ ‎‡A  Initial stage of quasiparticle decay in fermionic systems‏ ‎‡9  1‏
919 ‎‡a  insightsintocolourtuningofchlorophyllopticalresponseingreenplants‏ ‎‡A  Insights into colour-tuning of chlorophyll optical response in green plants‏ ‎‡9  1‏
919 ‎‡a  instantaneousbandgapcollapseinphotoexcitedmonoclinicvo2duetophotocarrierdoping‏ ‎‡A  Instantaneous band gap collapse in photoexcited monoclinic VO2 due to photocarrier doping.‏ ‎‡9  1‏
919 ‎‡a  interactionofmolecularandatomichydrogenwith55and66singlewallcarbonnanotubes‏ ‎‡A  Interaction of molecular and atomic hydrogen with (5,5) and (6,6) single-wall carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  interactionofmolecularandatomichydrogenwithsinglewallcarbonnanotubes‏ ‎‡A  Interaction of Molecular and Atomic Hydrogen With Single-Wall Carbon Nanotubes‏ ‎‡9  1‏
919 ‎‡a  interfaceandbulkeffectsintheattenuationoflowenergyelectronsthroughcaf2thinfilms‏ ‎‡A  Interface and bulk effects in the attenuation of low-energy electrons throughCaF2thin films‏ ‎‡9  1‏
919 ‎‡a  interplaybetweenstructureandelectronicpropertiesoflayeredtransitionmetaldichalcogenidescomparingthelossfunctionof1tand2hpolymorphs‏ ‎‡A  Interplay between structure and electronic properties of layered transition-metal dichalcogenides: Comparing the loss function of1Tand2Hpolymorphs‏ ‎‡9  1‏
919 ‎‡a  inversedlineardichroisminfkedgenexafsspectraoffluorinatedplanararomaticmolecules‏ ‎‡A  Inversed linear dichroism in FK-edge NEXAFS spectra of fluorinated planar aromatic molecules‏ ‎‡9  1‏
919 ‎‡a  kohnshamapproachtoquantumelectrodynamicaldensityfunctionaltheoryexacttimedependenteffectivepotentialsinrealspace‏ ‎‡A  Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space‏ ‎‡9  1‏
919 ‎‡a  largeareaplanarstaneneepitaxiallygrownonag‏ ‎‡A  Large area planar stanene epitaxially grown on Ag‏ ‎‡9  1‏
919 ‎‡a  largeareaplanarstaneneepitaxiallygrownonag111‏ ‎‡A  Large area planar stanene epitaxially grown on Ag(1 1 1)‏ ‎‡9  1‏
919 ‎‡a  laserinducedcontrolof‏ ‎‡A  Laser-induced control of‏ ‎‡9  1‏
919 ‎‡a  laserinducedcontrolofmultichannelintraclusterreactions‏ ‎‡A  Laser-induced control of (multichannel) intracluster reactions‏ ‎‡9  1‏
919 ‎‡a  laserinducedpreferentialdehydrogenationofgraphane‏ ‎‡A  Laser-induced preferential dehydrogenation of graphane‏ ‎‡9  1‏
919 ‎‡a  layeredinsulatormoleculemetalheterostructureswithmolecularfunctionalitythroughporphyrinintercalation‏ ‎‡A  Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation.‏ ‎‡9  1‏
919 ‎‡a  levelalignmentofaprototypicalphotocatalyticsystemmethanolontio2‏ ‎‡A  Level alignment of a prototypical photocatalytic system: methanol on TiO2‏ ‎‡9  1‏
919 ‎‡a  levelalignmentofaprototypicalphotocatalyticsystemmethanolontio2110‏ ‎‡A  Level alignment of a prototypical photocatalytic system: methanol on TiO2(110).‏ ‎‡9  1‏
919 ‎‡a  lifetimeofdholesatcusurfacestheoryandexperiment‏ ‎‡A  Lifetime ofdholes at Cu surfaces: Theory and experiment‏ ‎‡9  1‏
919 ‎‡a  lifetimesandmeanfreepathsofhotelectronsinthealkalimetals‏ ‎‡A  Lifetimes and mean-free paths of hot electrons in the alkali metals‏ ‎‡9  1‏
919 ‎‡a  lightmatterinteractioninthelongwavelengthlimitnogroundstatewithoutdipoleselfenergy‏ ‎‡A  Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy‏ ‎‡9  1‏
919 ‎‡a  localadsorptionstructureandbondingofporphineoncu‏ ‎‡A  Local adsorption structure and bonding of porphine on Cu‏ ‎‡9  1‏
919 ‎‡a  localadsorptionstructureandbondingofporphineoncu111beforeandafterselfmetalation‏ ‎‡A  Local adsorption structure and bonding of porphine on Cu(111) before and after self-metalation‏ ‎‡9  1‏
919 ‎‡a  localberrycurvaturesignaturesindichroicangleresolvedphotoelectronspectroscopyfrom2dimensionalmaterials‏ ‎‡A  Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials‏ ‎‡9  1‏
919 ‎‡a  localfieldeffectsontheplasmondispersionof2dimensionaltransitionmetaldichalcogenides‏ ‎‡A  Local-field effects on the plasmon dispersion of two-dimensional transition metal dichalcogenides‏ ‎‡9  1‏
919 ‎‡a  localreduceddensitymatrixfunctionaltheoryincorporatingstaticcorrelationeffectsinkohnshamequations‏ ‎‡A  Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations‏ ‎‡9  1‏
919 ‎‡a  localversusglobalelectronicpropertiesofchalcopyritealloys10rayabsorptionspectroscopyandabinitiocalculations‏ ‎‡A  Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations‏ ‎‡9  1‏
919 ‎‡a  longlivedoscillatoryincoherentelectrondynamicsinmoleculestranspolyacetyleneoligomers‏ ‎‡A  Long-lived oscillatory incoherent electron dynamics in molecules:trans-polyacetylene oligomers‏ ‎‡9  1‏
919 ‎‡a  longrangecontributiontotheexchangecorrelationkerneloftimedependentdensityfunctionaltheory‏ ‎‡A  Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory‏ ‎‡9  1‏
919 ‎‡a  lossspectroscopyofmolecularsolidscombiningexperimentandtheory‏ ‎‡A  Loss spectroscopy of molecular solids: combining experiment and theory‏ ‎‡9  1‏
919 ‎‡a  manybodyeffectsintheexcitationspectrumofadefectinsic‏ ‎‡A  Many-Body Effects in the Excitation Spectrum of a Defect in SiC‏ ‎‡9  1‏
919 ‎‡a  mechanicallyinterlockedsinglewallcarbonnanotubes‏ ‎‡A  Mechanically interlocked single-wall carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  metallicityretainedbycovalentfunctionalizationofgraphenewithphenylgroups‏ ‎‡A  Metallicity retained by covalent functionalization of graphene with phenyl groups‏ ‎‡9  1‏
919 ‎‡a  microscopicinvestigationoflaserinducedstructuralchangesinsinglewallcarbonnanotubes‏ ‎‡A  Microscopic investigation of laser-induced structural changes in single-wall carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  modelingelectrondynamicscoupledtocontinuumstatesinfinitevolumeswithabsorbingboundaries‏ ‎‡A  Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries‏ ‎‡9  1‏
919 ‎‡a  modelingnanoscalegassensorsunderrealisticconditionscomputationalscreeningofmetaldopedcarbonnanotubes‏ ‎‡A  Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes‏ ‎‡9  1‏
919 ‎‡a  modelingoflaserpulseinducedwaterdecompositionon2dimensionalmaterialsbysimulationsbasedontimedependentdensityfunctionaltheory‏ ‎‡A  Modeling of laser-pulse induced water decomposition on two-dimensional materials by simulations based on time-dependent density functional theory‏ ‎‡9  1‏
919 ‎‡a  modellingtheeffectofnuclearmotionontheattosecondtimeresolvedphotoelectronspectraofethylene‏ ‎‡A  Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene‏ ‎‡9  1‏
919 ‎‡a  modificationofexcitationandchargetransferincavityquantumelectrodynamicalchemistry‏ ‎‡A  Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry‏ ‎‡9  1‏
919 ‎‡a  modifiedehrenfestformalismforefficientlargescaleabinitiomoleculardynamics‏ ‎‡A  Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics‏ ‎‡9  1‏
919 ‎‡a  modifyingtheinterlayerinteractioninlayeredmaterialswithanintenseirlaser‏ ‎‡A  Modifying the Interlayer Interaction in Layered Materials with an Intense IR Laser‏ ‎‡9  1‏
919 ‎‡a  moleculardynamicsandphasetransitionin1dimensionalcrystalofc60encapsulatedinsidesinglewallcarbonnanotubes‏ ‎‡A  Molecular Dynamics and Phase Transition in One-Dimensional Crystal of C60 Encapsulated Inside Single Wall Carbon Nanotubes‏ ‎‡9  1‏
919 ‎‡a  momentumdensityandspatialformofcorrelateddensitymatrixinmodel2electronatomswithharmonicconfinement‏ ‎‡A  Momentum density and spatial form of correlated density matrix in model two-electron atoms with harmonic confinement‏ ‎‡9  1‏
919 ‎‡a  momentumresolvedviewofelectronphononcouplinginmultilayerwse2‏ ‎‡A  Momentum-Resolved View of Electron-Phonon Coupling in Multilayer WSe_{2}.‏ ‎‡9  1‏
919 ‎‡a  monitoringelectronphotondressinginwse2‏ ‎‡A  Monitoring Electron-Photon Dressing in WSe2.‏ ‎‡9  1‏
919 ‎‡a  multipleorbitaleffectsinlaserinducedelectrondiffractionofalignedmolecules‏ ‎‡A  Multiple-orbital effects in laser-induced electron diffraction of aligned molecules‏ ‎‡9  1‏
919 ‎‡a  nanoscalepatchworks‏ ‎‡A  Nanoscale patchworks‏ ‎‡9  1‏
943 ‎‡a  200x‏ ‎‡A  2009‏ ‎‡9  1‏
946 ‎‡a  b‏ ‎‡9  1‏
947 ‎‡a  ES‏ ‎‡9  1‏
996 ‎‡2  DNB|1057214604‏
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996 ‎‡2  LC|n 2008054870‏
996 ‎‡2  BNC|981060922617406706‏
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996 ‎‡2  RERO|A020157976‏
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996 ‎‡2  LC|no2009193975‏
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996 ‎‡2  RERO|A003568378‏
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996 ‎‡2  LC|n 2011019616‏
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996 ‎‡2  LC|no2017029043‏
996 ‎‡2  BNC|981058519897106706‏
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997 ‎‡a  1965 0 lived 0927 0‏ ‎‡9  1‏
998 ‎‡a  Rubio, Angel‏ ‎‡2  DNB|1119830834‏ ‎‡3  suggested‏ ‎‡3  single date‏ ‎‡3  standard number‏
998 ‎‡a  Rubio, Angel,‏ ‎‡2  SUDOC|160843162‏ ‎‡3  title: (0.71, 'fundamentalsoftimedependentdensityfunctionaltheory', 'octopusatoolfortheapplicationoftimedependentdensityfunctionaltheory')‏
998 ‎‡a  Rubio, Angel‏ ‎‡2  SUDOC|077037499‏ ‎‡3  title: (0.94, 'introductiontothephysicsofsiliceneandother2dmaterials', 'erratumtointroductiontothephysicsofsiliceneandother2dmaterials')‏
998 ‎‡a  Rubio, Angel‏ ‎‡c  (Professor)‏ ‎‡2  LC|nb2016024399‏ ‎‡3  suggested‏ ‎‡3  title: (0.94, 'introductiontothephysicsofsiliceneandother2dmaterials', 'erratumtointroductiontothephysicsofsiliceneandother2dmaterials')‏