Keywords: تراکم جزئی ایالات; Zinc oxide nanoparticles; Binding energy; Cytotoxicity; Hemolysis; Partial density of states;
مقالات ISI تراکم جزئی ایالات (ترجمه نشده)
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در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: تراکم جزئی ایالات; AES; auger electron spectroscopy; AFM; atomic force microscopy; APDBs; antiphase domain boundaries; CEMS; conversion electron Mössbauer spectroscopy; CTR; crystal truncation rod; DBT; distorted bulk truncation; DFT; density functional theory; DFT+U; dens
A DFT study of structural, electronic and optical properties of heteroatom doped monolayer graphene
Keywords: تراکم جزئی ایالات; Density function theory; Monolayer graphene; Partial density of states; Heteroatom; Partial charge distribution;
Ab-initio calculation on electronic and optical properties of ThO2, UO2 and PuO2
Keywords: تراکم جزئی ایالات; Electronic band structure; Partial density of states; Density functional theory; Optical properties;
Hydrogen and oxygen trapping at the H-cluster of [FeFe]-hydrogenase revealed by site-selective spectroscopy and QM/MM calculations
Keywords: تراکم جزئی ایالات; [2Fe] and [4Fe4S]; diiron and four-iron sub-complexes of the H-cluster; adt; azadimethyldithiolate; CPI; [FeFe]-hydrogenase from Clostridium pasteurianum; ctv; core-to-valence transition; HYDA1; [FeFe]-hydrogenase protein from C. reinhardtii; DFT; density
Incipient FeO(1Â 1Â 1) monolayer formation during O-adsorption on Fe(1Â 1Â 0) surface
Keywords: تراکم جزئی ایالات; Density functional theory; Ferrite; Oxidation; Chemisorption; Partial density of states; Surface relaxation;
First principle study of PEO-AgI polymer systems
Keywords: تراکم جزئی ایالات; Density functional theory; SIESTA; Simulation; Polymer electrolyte; Density of states; Partial density of states;
Effect of Sr-doping on the band structure of BaTiO3 through density functional theoretical calculations
Keywords: تراکم جزئی ایالات; Tructural properties; Density of states; Partial density of states; Band structure;
Partial density of states ligand field theory (PDOS-LFT): Recovering a LFT-like picture and application to photoproperties of ruthenium(II) polypyridine complexes
Keywords: تراکم جزئی ایالات; Polypyridine ruthenium complexes; Luminescence; Density-functional theory; Time-dependent density-functional theory; Partial density of states;
Electronic and magnetic properties of Zn1âxFexSe alloys
Keywords: تراکم جزئی ایالات; Half metallic ferromagnetism; Zn1âxFexSe alloys; Energy band structure; Partial density of states; Magnetic moments;
First-principles study of the structural, electronic, dynamical, and thermodynamic properties of Li5AlO4
Keywords: تراکم جزئی ایالات; Li5AlO4; Tritium breeding material; Lithium ceramics; First-principles; BZ; Brillouin zone; CBM; conduction bands minimum; DFPT; density functional perturbation theory; DFT; density functional theory; LO; longitudinal optical; PDOS; partial density of sta
A first-principles study of Pt-Ni bimetallic cluster adsorption on the anatase TiO2 (1Â 0Â 1) surface: Probing electron effect of Ni in TiO2 (1Â 0Â 1)-bimetallic cluster (Pt-Ni) on the adsorption and dissociation of methanol
Keywords: تراکم جزئی ایالات; Density functional theory; Partial density of states; Fukui functions; Methanol dissociation; Interface;
Investigation of the (â3 Ã â3)R30°-Cu2Si/Cu(1 1 1) surface alloy using DFT
Keywords: تراکم جزئی ایالات; Cu2Si; Cu(1Â 1Â 1); Alloy; DFT; GGA; Crystal orbital overlap population; COOP; Partial density of states; PDOS;
Electronic structure of CdTe probed by Cd and Te M4,5 X-ray emission spectra
Keywords: تراکم جزئی ایالات; XES; CdTe; Partial density of states; Valence band; Orbital mixing;