Keywords: ساختار الکترونیکی; Germanene; Defect; Mechanical property; Fracture; Electronic structure;
مقالات ISI ساختار الکترونیکی (ترجمه نشده)
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Keywords: ساختار الکترونیکی; First-principles calculations; Graphene; Sensing property; Electronic structure; Magnetic property;
Keywords: ساختار الکترونیکی; Bisphosphoramidate; Urease inhibitor; B3LYP; PBE1PBE; Chemical shift; Electronic structure;
Keywords: ساختار الکترونیکی; Grain boundary engineering; Segregation energy; Cohesion; Polycrystalline stability; General trends; ab initio; Electronic structure;
Keywords: ساختار الکترونیکی; Opt-electronic property; Dye-sensitized solar cells; Density functional theory; Electronic structure;
Keywords: ساختار الکترونیکی; Highly charged ions; Electronic structure; Perturbation theory;
Keywords: ساختار الکترونیکی; Overcrowded alkene-based molecular motor; Electronic structure; Molecular beam spectroscopy; DFT computational studies; Resonant two-photon ionization;
Keywords: ساختار الکترونیکی; Phase stability; Electron-phonon coupling; Superconductivity; Electronic structure;
Keywords: ساختار الکترونیکی; Tight-binding model; Electronic structure; Persistent current;
Keywords: ساختار الکترونیکی; First-principles calculation; AsN monolayer; Electronic structure;
Keywords: ساختار الکترونیکی; Energy material; Electrical transport properties; Thermoelectric properties; Carrier concentration; Density functional theory; Electronic structure;
Keywords: ساختار الکترونیکی; Epitaxial graphene; Graphene intercalation; Density functional theory; Electronic structure; Dirac cone;
Keywords: ساختار الکترونیکی; Phase stability; Electronic structure; Elastic properties; Convex hull;
Keywords: ساختار الکترونیکی; Al-based metallic glasses; Glass forming ability; Electronic structure; Element types;
Keywords: ساختار الکترونیکی; Transition metal dichalcogenide; 1T-ZrSe2; Electronic structure; Magnetism;
Keywords: ساختار الکترونیکی; Density functional theory; Electronic structure; Semiconductor; Organic electronic materials;
Keywords: ساختار الکترونیکی; Surfaces; First-principles calculations; Electronic structure; Adsorption;
Keywords: ساختار الکترونیکی; Density functional theory; CO2 capture and sequestration; Chemisorption; Electronic structure; Coal network;
Keywords: ساختار الکترونیکی; Electronic structure; Two-dimensional rutile; Coherent potential approximation;
Keywords: ساختار الکترونیکی; Confined atoms; Electronic structure; H atom; Bound states; Quantum Monte Carlo;
Keywords: ساختار الکترونیکی; Glycine-water clusters; Electronic structure; Nuclear vibration; First-principles;
Keywords: ساختار الکترونیکی; Organic compounds; Ab initio calculations; Equations-of-state; Electronic structure;
Keywords: ساختار الکترونیکی; First-principles calculations; Metal modified-graphene; Electronic structure; Magnetic property; Conversion reaction;
Keywords: ساختار الکترونیکی; Electronic structure; Microstructure; 'Ordering-phase separation' transition; Transmission electron microscopy;
A new photon source for ultraviolet photoelectron spectroscopy of organic and other damage-prone materials
Keywords: ساختار الکترونیکی; Ultraviolet photoelectron spectroscopy; Organic semiconductor; Electronic structure; NPD; P3HT;
Keywords: ساختار الکترونیکی; Carbon nitride; Ag introducing; Electronic structure; Organic pollutant elimination; O2 adsorption state;
Keywords: ساختار الکترونیکی; Graphene growth; Electronic structure; Alloyed surfaces; Density functional theory;
Keywords: ساختار الکترونیکی; Silicon carbide nanotubes; Tight binding; Electronic structure; Optical properties;
Keywords: ساختار الکترونیکی; Soot; Nanoparticles; Raman spectroscopy; XPS; UPS; Electronic structure;
Keywords: ساختار الکترونیکی; tungsten-based catalysts; dye-sensitized solar cells; counter electrodes; first-principle DFT calculations; electronic structure;
Effects of hydrogen on the nanomechanical properties of a bulk metallic glass during nanoindentation
Keywords: ساختار الکترونیکی; Bulk metallic glass; Hydrogen; Hydrogen-induced softening; Nanomechanical property; Electronic structure;
Keywords: ساختار الکترونیکی; Amorphous phase; Electronic structure; Topology; Ab initio molecular dynamics; Density functional theory;
Keywords: ساختار الکترونیکی; Electronic structure; Perovskite; Mechanical and thermodymic properties;
Keywords: ساختار الکترونیکی; Silicon carbide; Semiconductors; Lattice parameters; Electronic structure; EXX-OEP approach;
Electronic structure of tin monosulfide
Keywords: ساختار الکترونیکی; Tin monosulfide; Density functional theory; Electronic structure; Density of states;
Keywords: ساختار الکترونیکی; MgS+; ab initio calculations; Electronic structure; Spin-orbit couplings; Spectroscopic constants;
Keywords: ساختار الکترونیکی; Oxime ether derivative; X-ray powder diffraction; Hirshfeld surface analysis; Molecular electrostatic potential; Electronic structure; YPZXETSODCNNGJ-UHFFFAOYSA-N; DTPTUHOBBLKUHU-UHFFFAOYSA-N; ZNBPFMCLRIERRJ-UHFFFAOYSA-N;
Keywords: ساختار الکترونیکی; DFT; Surface magnetic quenching; Fe monolayer; Electronic structure; Relaxation;
Keywords: ساختار الکترونیکی; BN/graphene/BN trilayers; Tight binding; Electronic structure; Electrical conductivity; Heat capacity; Thermal conductivity;
Keywords: ساختار الکترونیکی; Carbon allotrope; Electronic structure; Thermal transport; Nanoribbon;
Keywords: ساختار الکترونیکی; Layered double hydroxide; Derivatives; Electrocatalysis; Oxygen reduction; Water splitting; CO2 reduction; Electronic structure; Hierarchical structure; Metal-air battery; Fuel cell;
Keywords: ساختار الکترونیکی; Graphene; N-doped/n-type graphene; B-doped/p-type graphene; Density functional theory; Electronic structure; Pseudo-potential theory; Hydrogen storage;
Keywords: ساختار الکترونیکی; Photoemission; Li-ion batteries; Layered oxide cathode; Electronic structure; Electrode-electrolyte interface; Degradation;
Keywords: ساختار الکترونیکی; Monolayered molybdenum disulfide; Nanocrystals; Photocatalyst; Electronic structure; Hydrogen evolution reaction;
Keywords: ساختار الکترونیکی; Intermetallics; Electronic structure; Transport properties; Dynamical properties;
Keywords: ساختار الکترونیکی; Arsenene; Dirac material; Surface regulation; Electronic structure; First-principle calculations;
Electronic structure elucidation in oxidized metal-salen complexes
Keywords: ساختار الکترونیکی; Electronic structure; Salen; Redox-active ligands; Mixed-valence; Intervalence charge transfer; Biomimetic models;
Keywords: ساختار الکترونیکی; DFT; Electronic structure; Mechanical properties; Thermoelectric properties; Thermodynamic properties;
A novel approach to obtain highly intense self-activated photoluminescence emissions in hydroxyapatite nanoparticles
Keywords: ساختار الکترونیکی; Hydroxyapatite; Chemical precipitation; Photoluminescence; Electronic structure; Defects; Order-disorder;
Keywords: ساختار الکترونیکی; Density functional theory; Two-dimensional gallium nitride; Electronic structure; Dielectric response;