electronic-structure

Documents about electronic-structure

• High-pressure modulation of breathing kagome lattice: Cascade of Lifshitz transitions and evolution of the electronic structure#986109arXiv (All)
• 1s2p resonant inelastic x-ray scattering natural circular dichroism#137442HAL (France)
• (Data set) High-pressure modulation of breathing kagome lattice: Cascade of Lifshitz transitions and evolution of the electronic structure#419282RODARE
• Biquaternion Algebra with Bilinear Multiplication: A General, Elegant, and Computationally Advantageous Framework for Relativistic Electronic Structure Calculations on CPUs and GPUs#822485arXiv (All)
• Design of new porous supramolecular arrays from flavyliums derivative linker. A theoretical assemble toward surface properties#948649Repositorio de Universidad Autónoma de Chile.
• Influence of ligand field and correlation on the electronic structure of NiO and CoO from DFT+DMFT calculations#1035481arXiv (All)
• Mechanical Utility Structure for Testing High Field Superconducting Dipole Magnets#620179eScholarship
• Influence of Ge/Sb intermixing and doping on the electronic and transport properties of hexagonal Ge 2 Sb 2 Te 5 crystals#461009HAL (France)
• Structural and electronic properties of neutral and ionic GanOn clusters with n = 4-7#407969Digital Commons @ Michigan Tech
• Decoding orbital interactions in H-bonded melamine networks by combining electron spectroscopy and DFT#459119RepOD Dataverse OAI Archive
• Research Data for DFG project KL1225/11-1#479720TUdatalib System
• Electron count and electronic structure of bare icosahedral Au32 and Au33 ionic nanoclusters and ligated derivatives. Stable models with intermediate superatomic shell fillings#948108Repositorio de Universidad Autónoma de Chile.
• Ultrafast Nonadiabatic Dynamics of Tetraphenyl‐substituted Nitrogen‐Based Heterocycles#970864Gestión del Repositorio Documental de la Universidad de Salamanca
• Solid-liquid contact TENG using a melting near-field direct writing PCL nano-fiber structure#190014NTU Digital Repository
• Motivated Learning with Digital Learning Tasks: What about Autonomy and Structure?#460637ERIC
• Parameter tables for: Three-Center Tight-Binding together with Multipolar Auxiliary Functions#630611KU Leuven RDR Dataverse OAI Archive
• X-ray and electronic structure of tris(benzoylacetonato-κ2O,O')iron(III)#928705University of Pretoria Repository
• Surprisingly High Redundancy in Electronic Structure Data Across Materials Explained by Low Intrinsic Dimensionality#189303arXiv (OAI)
• Can single-atom change affect electron transport properties of molecular nanostructures such as C60 fullerene#467766Digital Commons @ Michigan Tech
• Electronic structure of quantum materials : searching for signatures of correlations#468360HAL (France)
• Polycrystalline ZrTe5 parametrized as a narrow-band-gap semiconductor for thermoelectric performance#955268Koc University Digital Collections
• Theory Of The Hydrogen Bond: Electronic Structure And Properties Of The Water Dimer#19683OpenCitations
• Review of: "Micro and nano-electromechanical systems ( MEMS / NEMS ) are devices in which the physical motion of a micro- or nano-scale structure is controlled by an electronic circuit"#90669PhilArchive
• Surface Local Impurity Scattering as a Probe for Topological Kondo Insulators#246773HAL (France)
• Optimized Photoemission from Organic Molecules in 2D Layered Halide Perovskites#289469Scholar Commons
• Electronic Structure and Symmetry: Impact on Vibrational Spectra of Small Clusters#387416DigitalCommons@Kennesaw State University
• Improved nuclear-structure corrections to the hyperfine splitting of electronic and muonic deuterium#612307eScholarship
• Supporting data for "Many-body first principles calculations of carrier mobility with record accuracy using GW perturbation theory"#275072Materials Cloud Archive
• Data publication: Unlocking the Power of Orbital-Free Density Functional Theory to Explore the Electronic Structure Under Extreme Conditions#316698RODARE
• Improved Unconstrained Energy Functional Method for Eigensolvers in Electronic Structure Calculations#620093eScholarship
• Novel and Convenient Synthesis of 2,7-Dialkyl-1,8-dihydro- A s-indacenesÂ-#948037Repositorio de Universidad Autónoma de Chile.
• Integrated xTB and simplified Tamm-Dancoff analysis of composition-dependent electronic structure in GaInZnP/ZnSe(y)S(1-y) core/shell quantum dots with DFT and TDDFPT benchmarking.#170671NCBI PubMed Central
• Estudo Ab-Initio das propriedades estruturais, eletrônicas, ópticas e fotovoltaicas dos compostos NaBiS2 e NaBiSe2#197134Repositório Institucional da Universidade Federal de Sergipe
• Supporting data for the assessment of superatom-like fullerenes via an unsupervised machine learning approach#228255RepOD Dataverse OAI Archive
• First principles investigations of a "quasi-one-dimensional" charge-transfer molecular crystal: TTF-2,5Cl₂BQ#391834HAL (France)
• Sustainable lead-free Na2AgSbX6 (X = Cl, F) double perovskites with tunable optoelectronic and thermoelectric properties: A first-principles study#385480Recep Tayyip Erdoğan University Institutional Repository
• Towards accurate Ca isotope fractionation at equilibrium between minerals and aqueous solutions with electronic structure calculations: Multi-framework comparison for validation and correction, and the control of structural cations#445636HAL (France)
• Pressure-Controlled Modifications in Electronic Structure, Mechanical, Thermodynamic, and Optoelectronic Attributes of Perovskite NaPaO<sub>3</sub> for Energy-Efficient Applications#127492Europe PMC
• Electronic Structure Modulation via Composition‐Preserving Phase Transformations in Metal–Organic Assemblies on the Surface#137546HAL (France)
• Transport properties of magnetic tunnel junctions with Co2MnSi electrodes: The influence of temperature-dependent interface magnetization and electronic band structure#492699Bielefeld Pub
• Local electronic structure of histidine in aqueous solution#619855eScholarship
• Anomalous pressure dependence of the bulk modulus and Yb valence in cubic YbPd#670119HAL (France)
• Quantum coherence and correlations of optical radiation by atomic ensembles interacting with a two-level atom in a microwave cavity#934876Koc University Digital Collections
• Roadmap for electronic structure, anharmonicity, and electron-phonon calculations in locally disordered inorganic and hybrid halide perovskites#124548HAL (France)
• Data publication: The CP-PAW Code Package for First-Principles Calculations from a User's Perspective#393463RODARE
• Electronic Structure and Superconductivity in La$_{1.55}$Sr$_{0.45}$CuO$_4$/La$_2$CuO$_4$ Artificial High-$T_c$ Superlattices Probed by Hard and Soft X-ray Spectroscopy#920579arXiv (OAI Expanded)
• Electronic Structure and Superconductivity in La$_{1.55}$Sr$_{0.45}$CuO$_4$/La$_2$CuO$_4$ Artificial High-$T_c$ Superlattices Probed by Hard and Soft X-ray Spectroscopy#924813arXiv (All)
• Determination of the surface electronic structure of Fe3O4(111) by soft X-ray spectroscopy#954735Koc University Digital Collections
• Evaluating a quantum-classical quantum Monte Carlo algorithm with Matchgate shadows#495597OSTI.gov
• Hydrogen Plasma-Driven Surface Defect Engineering of ZnO Nanorods: Correlating Electronic Structure and Photoelectrochemical Performance#344060Figshare