Keywords: ساختار الکترونیکی; Magnesium hydroxide; Brucite; Calcium hydroxide; Lime; Crystal structure; Electronic structure; Chemical bonding; Work function; Optical properties;
مقالات ISI ساختار الکترونیکی (ترجمه نشده)
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Keywords: ساختار الکترونیکی; Photoelectron diffraction; Photoelectron spectroscopy; Synchrotron radiation; Atomic orbital; Atomic structure; Electronic structure;
Keywords: ساختار الکترونیکی; Superlattices; Monolayer graphene; Electronic structure; Transport properties;
Keywords: ساختار الکترونیکی; Half-Heusler compounds; Topological insulator; Electronic structure; First principle calculation;
Keywords: ساختار الکترونیکی; Compton scattering; Electronic structure; Density functional theory;
Keywords: ساختار الکترونیکی; Photoelectron spectroscopy; Standing-waves; X-ray optics; Electronic structure; Interface phenomena;
Keywords: ساختار الکترونیکی; Alkaline-earth fluoride; Clusters; Electronic structure; Structural evolution; Density functional theory;
Keywords: ساختار الکترونیکی; Homogeneous catalysis; Heterogeneous catalysis; Photoactive coordination compounds; Synchrotron; Structural determination; Electronic structure; X-ray scattering techniques; X-ray spectroscopies;
Keywords: ساختار الکترونیکی; Atomic properties; Electronic structure; Excited states; Variational method;
Keywords: ساختار الکترونیکی; Bismuth; Two-photon photoemission spectroscopy; Quantum well states; Electronic structure;
Keywords: ساختار الکترونیکی; Copper nitride; Electronic structure; Sebeeck coefficient; Density functional theory;
Keywords: ساختار الکترونیکی; Chromium-containing amorphous hydrogenated carbon thin films (a-C:H/Cr); X-ray absorption near-edge structure (XANES); Electronic structure; Solar absorbers; Solar absorptance; Thermal emittance;
Keywords: ساختار الکترونیکی; Stable germylenes; Electronic structure; Isodesmic reaction; Ionization energy; Density functional theory;
Keywords: ساختار الکترونیکی; Transition metal; BeO nanotube; Electronic structure; Magnetic property; First-principle calculation;
Keywords: ساختار الکترونیکی; Polycyclic aromatic compounds; Electronic structure; Photoelectron spectroscopy; Many-body Green's function theory; Shake-ups;
Keywords: ساختار الکترونیکی; Polycyclic aromatic compounds; Electronic structure; Photoelectron spectroscopy; Many-body Green's function theory; Shake-ups;
Keywords: ساختار الکترونیکی; Dye sensitizer; Ru-complexes; Electronic structure; Density functional theory; Absorption spectra;
Keywords: ساختار الکترونیکی; Artificial intelligence; Genetic algorithm; Electrically conducting polymer; Donor-acceptor polymer; Band gap; Superlattice; Electronic structure;
Keywords: ساختار الکترونیکی; 79.60.Jv; 71.20.Be; 73.20.âr; Hard X-ray photoelectron spectroscopy; Materials for energy; Bulk properties; Multilayers; Interface properties; Alloying; Electronic structure;
Keywords: ساختار الکترونیکی; Photoelectron spectrum; Electronic structure; Photoionisation dynamics; Meta-dichlorobenzene; Meta-bromochlorobenzene;
Keywords: ساختار الکترونیکی; Spin-polarized photoemission; Electronic structure; Magnetic thin films; Spin-orbit coupling;
Keywords: ساختار الکترونیکی; AA; ascorbic acid; BSE; Bovine spongiform encephalopathies; B3LYP; Becke 3 parameter Lee Yang Parr; BP86; Becke Perdew86; CD; Circular dichroism; CJD; Creutzfeldt-Jakob disease; CPMD; Car-Parrinello molecular dynamics; DFT; Density functional theory;
Keywords: ساختار الکترونیکی; MoO2; Electronic structure; Cluster model; X-ray photoemission; X-ray absorption; Resonant photoemission
Keywords: ساختار الکترونیکی; Visible light-sensitive photocatalyst; Pentavalent bismuthate; Electronic structure; Phenol
Keywords: ساختار الکترونیکی; Merocyanine; Electronic structure; Solvatochromism; Quantum chemical calculation; TDDFT
Keywords: ساختار الکترونیکی; first-principles; electronic structure; optical properties; orthorhombic SrHfO3 material
Keywords: ساختار الکترونیکی; CuCrZr alloy; Solution energy; Work of separation; Interface energy; Electronic structure
Keywords: ساختار الکترونیکی; First-principle calculations; Ge atomic cluster; Li alloying; Electronic structure
Keywords: ساختار الکترونیکی; Uranium nitride; Electronic structure; XPS; First principles
Keywords: ساختار الکترونیکی; Cr-Mn-Ni-Al; First principles calculations; Electronic structure; Magnetic property
Keywords: ساختار الکترونیکی; Theoretic calculations; MoS2; Electronic structure
Keywords: ساختار الکترونیکی; Electronic structure; Density functional theory; Optical properties; Optical memory devices
Keywords: ساختار الکترونیکی; Nanocrystalline Li2C2; Cathode material; First-principles calculation; Thermodynamic property; Electronic structure
Electronic structure of Lanthanum induced Ï-bonded Seiwatz chains on the Si(111)-(2â¯â¯Ãâ¯â¯3) surface
Keywords: ساختار الکترونیکی; Density functional theory; Spin-orbit coupling; Surface; Electronic structure;
Enhanced magnetism in the VLi8 magnetic superatom supported on graphene
Keywords: ساختار الکترونیکی; Vli8 superatom; Graphene surface; Electronic structure; Magnetic moment;
Electronic structure and photoluminescence properties of a novel single-phased color tunable phosphor KAlGeO4:Bi3+,Eu3+ for WLEDs
Keywords: ساختار الکترونیکی; Phosphor; Electronic structure; Photoluminescence properties; Energy transfer; WLEDs;
Emergence of strain induced two dimensional metallic state in ReS2
Keywords: ساختار الکترونیکی; Electronic structure; Thermoelectric properties; Strain;
An enhanced butanone sensing performance of Er0.7Yb0.3FeO3 material with the proper electronic structure
Keywords: ساختار الکترونیکی; Er1-xYbxFeO3; Butanone gas sensor; Electronic structure; Sol-gel;
Epitaxial growth and band alignment of p-NiO/n-Fe2O3 heterojunction on Al2O3(0â¯0â¯0â¯1)
Keywords: ساختار الکترونیکی; Photoelectrochemical water splitting; Oxide semiconductor; Heterojunction; Electronic structure; Band offset; Fe2O3;
Tuning the electronic structure of quasi-two-dimensional β-Ga2O3 by vacancy and doping
Keywords: ساختار الکترونیکی; First principles study; QTD β-Ga2O3; Electronic structure; Vacancy; Doping;
Preparation and thermoelectric properties of pseudogap intermetallic (Ti1-xVx)NiSi solid solutions
Keywords: ساختار الکترونیکی; TiNiSi-type compound; Thermoelectric property; Pseudogap; Electronic structure;
Defects engineering monolayer MoSe2 magnetic states for 2D spintronic device
Keywords: ساختار الکترونیکی; MoSe2; Vacancy defects; Electronic structure; Magnetic properties;
Effect of electron doping on the magnetic properties and electronic structures of Ba2MnMoO6
Keywords: ساختار الکترونیکی; Electron doping; First-principles calculation; Perovskites; Magnetic property; Electronic structure;
Quaternary rare-earth transition-metal phosphides REMnCuP2 (RE = Y, La-Nd, Sm, Gd-Tm, Lu) with CaAl2Si2-type structure and a polymorph of LaMnCuP2 with BaCu2S2-type structure
Keywords: ساختار الکترونیکی; Rare earths; Phosphides; Crystal structure; Electronic structure;
Insight into interfacial structure and bonding nature of diamond(001)/Cr3C2(001) interface
Keywords: ساختار الکترونیکی; First principles; Diamond/Cr3C2 interface; Work of adhesion; Electronic structure; Bonding nature;
Electronic structure with the calculation of the rovibrational, and dipole moments of the electronic states of the NaBr and KBr molecules
Keywords: ساختار الکترونیکی; Ab initio calculation; Electronic structure; Spectroscopic constants; Potential energy curves; Dipole moments; Franck-Condon factor; Rovibrational calculation;
The anisotropic thermoelectricity property of AgBi3S5 by first-principles study
Keywords: ساختار الکترونیکی; AgBi3S5; Electronic structure; Thermoelectric property; Boltzmann transport theory;
Photocatalytic water splitting of (F, Ti) codoped heptazine/triazine based g-C3N4 heterostructure: A hybrid DFT study
Keywords: ساختار الکترونیکی; Hybrid DFT; Heterostructure; Electronic structure; Bader charge; Photocatalytic water splitting;
Experimental and first-principle study of LuPd2Si2 superconductor
Keywords: ساختار الکترونیکی; Anisotropy; Superconducting properties; Heat treatment; Electronic structure; Calculation;
The effect of surface electronic structures of Au/TiO2 on sonophotochemical reactions
Keywords: ساختار الکترونیکی; Sonophotocatalysis; Localized surface plasmon resonance; Electronic structure; Water reduction; Au/TiO2;