Keywords: مدل خوشه ای; Intensity modulated radiation therapy; Heterogeneous dose distribution; Dose-volume histogram; Normal tissue complication probability; Cluster model;
مقالات ISI مدل خوشه ای (ترجمه نشده)
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Keywords: مدل خوشه ای; Pre-holed granite; High temperature; Cluster model; Mineral grain; Micro-crack; Measurement circle;
Keywords: مدل خوشه ای; Cluster model; Alpha-cluster nuclei; Cluster shell-model;
Keywords: مدل خوشه ای; MoO2; Electronic structure; Cluster model; X-ray photoemission; X-ray absorption; Resonant photoemission
Keywords: مدل خوشه ای; Adsorption and dissociation; Hydrogenation; Heterogeneous catalysis; Cluster model; Density functional theory
Cluster shell model: I. Structure of 9Be, 9B
Keywords: مدل خوشه ای; Cluster model; Alpha-cluster nuclei; Cluster shell-model;
Computational investigations of S3 structures related to a recent X-ray free electron laser study
Keywords: مدل خوشه ای; Water oxidation; Density functional theory; Cluster model; Size convergence; Accuracy;
Analysis of the dynamics of reactions of SiCl2 at Si(100) surfaces
Keywords: مدل خوشه ای; Silicon surface growth; Cluster model; Reaction dynamics; Molecular orbital method;
Analysis of the clustering in 212Po, 218Rn and 232U
Keywords: مدل خوشه ای; Cluster model; Local potential; Alpha and exotic cluster;
Active sites formation and their transformations during ethylene polymerization by the Phillips CrOx/SiO2 catalyst
Keywords: مدل خوشه ای; Phillips catalyst; Chromium oxide; Silica; Surface; Ethylene polymerization; Active site; Defect site; Mechanism; DFT; Cluster model;
The algebraic cluster model: Structure of 16O
Keywords: مدل خوشه ای; Cluster model; Alpha-cluster nuclei; Algebraic models;
Periodic vs. molecular cluster approaches to resolving glass structure and properties: Anorthite a case study
Keywords: مدل خوشه ای; Anorthite; Cement; Ab initio molecular dynamics; Cluster model; EXAFS;
Tentative study of nuclear charge radii for neutron-deficient nuclei around the Z = 82 shell from experimental α decay data
Keywords: مدل خوشه ای; α Decay; Cluster model; Nuclear charge radius
A CASPT2 study of the spectral shift of the resonance emission lines of Rb and Cs embedded in liquid He
Keywords: مدل خوشه ای; Emission spectrum; Alkali probes; Helium environment; CASPT2; Cluster model;
Ethylene glycol oxidation over Ag-containing catalysts: A theoretical study
Keywords: مدل خوشه ای; Silver; Cluster model; Ethylene glycol; Oxidation; DFT
DFT studies on the activation of C–H bonds on V/P mixed oxides
Keywords: مدل خوشه ای; Density functional theory; Selective oxidation; Light alkanes; H atom abstraction; Vanadium/Phosphorus mixed oxide; Cluster model
Dimeric Pd(II) and Pt(II) chloride organometallics with 2-phenylpyridine and their solvolysis in dimethylsulfoxide
Keywords: مدل خوشه ای; Palladium; Platinum; Solvolysis; Low-temperature NMR spectroscopy; Relativistic DFT calculations; Cluster model
A comparative DFT study of the adsorption of H2O molecules at Bi, Hg, and Ga surfaces
Keywords: مدل خوشه ای; Water adsorption; Density functional theory; Cluster model; Electric double layer; Hydrophilicity; Bismuth; Mercury; Gallium;
Vibrational properties of silicates: A cluster model able to reproduce the effect of “SiO4” polymerization on Raman intensities
Keywords: مدل خوشه ای; Silicates; Glass; Raman intensity; DFT; Cluster model
Cluster structure and deformed bands in the 38Ar nucleus
Keywords: مدل خوشه ای; 38Ar; Cluster model; Superdeformed band; Transitions; Spectroscopic factors
Evidence for α-particle condensation in nuclei from the Hoyle state deexcitation
Keywords: مدل خوشه ای; Heavy ion reactions; Correlation functions; α-particle condensation; Cluster model; Nuclear structure;
Theoretical studies of Na+ location in ZSM-5: Model selection for accurate coordination structure and energetics
Keywords: مدل خوشه ای; Zeolite; Cation location; Cluster model
Interaction of NO with Au nanoparticles supported on (100) terraces and topological defects of MgO
Keywords: مدل خوشه ای; Nitric oxide; Au/MgO; Model catalysts; NO adsorption; DFT; Cluster model;
Systematic calculations on exotic α-decay half-lives of nuclei with N=125, 126, 127
Keywords: مدل خوشه ای; α decay; Cluster model; Wave functions; Half-lives;
Dehydrogenation of propane over ZnMOR. Static and dynamic reaction energy diagram
Keywords: مدل خوشه ای; Propane dehydrogenation; Zn-exchanged zeolite; Periodical DFT calculation; Cluster model; Harmonic transition state theory; Thermodynamic integration
Effect of heat treatment on the highly corrosion-resistant Cu70Ni27.7Fe2.3 alloy
Keywords: مدل خوشه ای; Cu-Ni; Heat treatment; Cluster model; Corrosion;
Density functional theory study of the water adsorption at Bi(111) electrode surface
Keywords: مدل خوشه ای; Bi(111) electrode; Water adsorption; Density functional calculations; Cluster model; Electric double layer;
Formation of Ag2, Au2 and AgAu particles on MgO(1 0 0): DFT study on the role of support-induced charge transfer in metal-metal interactions
Keywords: مدل خوشه ای; Au/MgO; Ag/MgO; Gold-silver clusters; DFT; Cluster model;
CO interaction with Au atoms adsorbed on terrace, edge and corner sites of the MgO(1Â 0Â 0) surface. Electronic structure and vibrational analysis from DFT
Keywords: مدل خوشه ای; Au/MgO; Model catalysts; CO adsorption; DFT; Cluster model;
The cleavage of the methane CH bond over PdO/H-BEA: A density functional theory study
Keywords: مدل خوشه ای; 82.75.âz; 82.75.Qt; 68.43.Bc; 31.15.Ew; Zeolite; Palladium; Methane; CH bond cleavage; Cluster model; Density functional theory;
Theoretical study of chemi- and physisorption processes of H2 molecules on a (1 0 0) surface of silver
Keywords: مدل خوشه ای; Physisorption of H2; Silver surface; Cluster model; Multi-layer process; Ab initio methods; Electronic structure;
Semi-empirical and ab initio quantum chemical characterisation of pyridine derivatives as HCl inhibitors of aluminium surface
Keywords: مدل خوشه ای; Corrosion inhibitors; Quantum chemical calculations; Aluminium; Cluster model; Natural bond orbital;
Adsorption of NO on Au atoms and dimers supported on MgO(1 0 0): DFT studies
Keywords: مدل خوشه ای; Au/MgO; Gold clusters; NO adsorption; Nitric oxide; DFT; Cluster model;
DFT calculations, DRIFT spectroscopy and kinetic studies on the hydrolysis of isocyanic acid on the TiO2-anatase (1 0 1) surface
Keywords: مدل خوشه ای; Titanium dioxide; TiO2(1 0 1) surface; Anatase structure; DFT; In situ DRIFTS; Cluster model; Isocyanic acid; Carbamic acid; Carbamate group
DFT study of NH3 dissociation on Si(1 1 1)-7 Ã 7. The role of intermolecular interactions
Keywords: مدل خوشه ای; NH3; Si(1Â 1Â 1)-7Â ÃÂ 7; Silicon surface; DFT; Cluster model;
Auger and photoelectron relaxation energy in aluminum compounds: A cluster model
Keywords: مدل خوشه ای; Aluminum compounds; Ab initio calculations; Cluster model; Relaxation energy; AES; XPS; XAES;
Theoretical study of N2O2 interaction with BaO(1Â 0Â 0) surface
Keywords: مدل خوشه ای; N2O2; NO dimer; BaO(1Â 0Â 0); Cluster model; NOx storage;
Microscopic cluster model for exotic nuclei
Keywords: مدل خوشه ای; Cluster model; Exotic nuclei; Structure calculations
Theory of resonant X-ray emission spectra for high Tc cuprates
Keywords: مدل خوشه ای; Resonant X-ray emission spectroscopy; High Tc cuprates; Charge transfer excitation; Crystal field excitation; Cluster model;
Structural model of arsenic(III) adsorbed on gibbsite based on DFT calculations
Keywords: مدل خوشه ای; Gibbsite; Arsenic; As(III); H3AsO3; Adsorption; DFT; Cluster model;
DFT modeling of the hydrolysis of isocyanic acid over the TiO2 anatase (1 0 1) surface: Adsorption of HNCO species
Keywords: مدل خوشه ای; Titanium dioxide; TiO2 (1Â 0Â 1) surface; Anatase structure; Electronic structure; DFT; Cluster model; Isocyanic acid; HNCO; NCO;
Self-inhibition phenomena in the electroreduction of hexamolybdocobaltate(III): A combined experimental and computational study
Keywords: مدل خوشه ای; Anderson heteropolyanions; Mercury electrode; Electrochemical reduction; Adsorption; Cluster model; Density functional theory; Electronic transmission coefficient;
Chemisorption of NCO on Cu(1Â 0Â 0): A density functional theory study
Keywords: مدل خوشه ای; DFT; NCO adsorption; Cluster model; Cu(1Â 0Â 0);
Microscopic modelling of the reduction of a Zn(II) aqua-complex on metal electrodes
Keywords: مدل خوشه ای; Zn(II) aqua-complex; Electrochemical reduction; Density functional theory; Cluster model; Adiabatic electron transfer; Quantum chemical approach;
Adsorption of halide ions from aqueous solutions at a Cd(0Â 0Â 0Â 1) electrode surface: quantum chemical modelling and experimental study
Keywords: مدل خوشه ای; Cadmium electrode; Halide ions; Specific adsorption; Cluster model; Density functional theory;