Keywords: بهینه سازی هندسه; RSM; Geometry optimization; Hadamard; Source direction;
مقالات ISI بهینه سازی هندسه (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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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: بهینه سازی هندسه; QSRR; Geometry optimization; Descriptor generation; Chiral descriptors; Feature selection; Retention prediction; Similarity; Non-Targeted Analysis; Chromatography;
Keywords: بهینه سازی هندسه; High depth-to-width ratio; Friction stir welding; Al-Mg-Si alloy; High-throughput screening; Geometry optimization; Microhardness;
Keywords: بهینه سازی هندسه; Geometry optimization; Wave energy converter; Statistical analyses; Point absorber; DOE method;
Keywords: بهینه سازی هندسه; Ionic liquid; Quantum chemical calculations; Geometry optimization; Electronic properties;
Keywords: بهینه سازی هندسه; Structure-borne sound transmission; Vibratory machines; Genetic algorithms; Geometry optimization;
Keywords: بهینه سازی هندسه; Geometry optimization; Redundant internal coordinates; Quasi Newton;
Keywords: بهینه سازی هندسه; Bridge transducer; Piezoelectric energy harvesting; Finite element analysis; Geometry optimization;
Keywords: بهینه سازی هندسه; Membrane bioreactor; Hydrodynamics; Geometry optimization; Computational fluid dynamics; Membrane surface shear;
Keywords: بهینه سازی هندسه; G-factor; Geometry optimization; Control strategy; Number of pairs;
Keywords: بهینه سازی هندسه; Solid oxide cell; Flow distribution; Fuel utilization rate; Planar fuel cells; Geometry optimization; Parallel channels;
Keywords: بهینه سازی هندسه; Discontinuity layout optimization; Yield-line analysis; Geometry optimization
Keywords: بهینه سازی هندسه; Rydberg states; TDDFT; Geometry optimization; Vibrational frequencies; Vibronic bands;
Keywords: بهینه سازی هندسه; Density functional; Theoretical chemistry; Ionic liquids; Physicochemical properties; Geometry optimization; Cations/anions;
Keywords: بهینه سازی هندسه; Seat valve; Fluid flow force; Geometry optimization; Computational fluid dynamics;
Keywords: بهینه سازی هندسه; Quadrupole ion trap; Simulation; Geometry optimization; Electrode misalignment; Electrode spacing; Misalignment tolerance;
Keywords: بهینه سازی هندسه; Horizontal oil–water two-phase flow; Holdup; Concave capacitance sensor; Geometry optimization
Keywords: بهینه سازی هندسه; Geometry optimization; Wear mechanism; Wear calculation model; BP neural network
Theoretical (density functional theory) studies on the structural, electronic and catalytic properties of the ionic liquid 4-amino-1H-1,2,4-triazolium nitrate
Keywords: بهینه سازی هندسه; Density functional theory; Geometry optimization; Electronic properties; Ionic liquids; Reaction kinetics;
Occupation deficiency in layered structures of UNixSb2 (0⩽x⩽1) studied by density functional theory supercell calculations
Keywords: بهینه سازی هندسه; Layered structures; Uranium compounds; Ab initio calculations; DFT; Geometry optimization; Supercells;
Ti-decorated C120 nanotorus: A new molecular structure for hydrogen storage
Keywords: بهینه سازی هندسه; C120 nanotorus; Density functional theory; PW91; Computational simulation; Hydrogen storage; Geometry optimization;
Model-assisted development of microfabricated 3D Ni(OH)2 electrodes with rapid charging capabilities
Keywords: بهینه سازی هندسه; Microfabrication; Fast charge microbattery; Model; Geometry optimization; Ni(OH)2 electrode;
Benchmark study of bond dissociation energy of SiX (XF, Cl, Br, N, O, H and C) bond using density functional theory (DFT)
Keywords: بهینه سازی هندسه; Bond dissociation energy; DFT; Benchmarking; SiX; Geometry optimization;
A comparative study of DFT calculated and experimental UV/Visible spectra for thirty carboline and carbazole based compounds
Keywords: بهینه سازی هندسه; Benchmarking; Carboline; Carbazole UV/Vis spectra; DFT; Density of states; Geometry optimization;
Geometry optimization of a deswirler for cyclone separator in terms of pressure drop using CFD and artificial neural network
Keywords: بهینه سازی هندسه; Cyclone; Deswirler; Geometry optimization; Pressure drop; Surrogate-based optimization;
Molecular structure, vibrational, HOMO-LUMO, MEP and NBO analysis of hafnium selenite
Keywords: بهینه سازی هندسه; [Hf(SeO3)2(H2O)4]·2H2O; Quantum chemical calculations; Geometry optimization; Electronic properties;
Energy distribution design on the photovoltaic cell array of the SSPS-OMEGA concept
Keywords: بهینه سازی هندسه; Space solar power station; The OMEGA concept; Photovoltaic cell array; Ray trace; Geometry optimization; Bézier curve;
Benchmark study of UV/Visible spectra of coumarin derivatives by computational approach
Keywords: بهینه سازی هندسه; Benchmarking; Coumarin; UV/Vis spectra; DFT; Density of states; Geometry optimization;
Topology and parameter data of thirteen non-natural amino acids for molecular simulations with CHARMM22
Keywords: بهینه سازی هندسه; CHARMM; Force field parameterization; Quantum mechanics; Molecular dynamics; Potential energy surface; Geometry optimization;
Can two H2 molecules be inserted into C60 - an accurate first-principles exploration of structural, energetic and vibrational properties of the 2H2@C60 complex
Keywords: بهینه سازی هندسه; Computational chemistry; Endohedral fullerene complexes; Geometry optimization; Vibrational frequencies; Accurate quantum-chemistry calculations;
Molecular structure, vibrational spectra, MEP, HOMO-LUMO and NBO analysis of Hf(SeO3)(SeO4)(H2O)4
Keywords: بهینه سازی هندسه; Hf(SeO3)(SeO4)(H2O)4; Quantum chemical calculations; Geometry optimization; Electronic properties
Performance improvement of a 500-kW Francis turbine based on CFD
Keywords: بهینه سازی هندسه; Francis turbine; Computational fluid dynamics; Geometry optimization; Artificial neural networks; Genetic algorithm;
Geometry optimization of uncoated silicon microcantilever-based gas density sensors
Keywords: بهینه سازی هندسه; Density sensor; Hydrogen sensor; Geometry optimization; Sensitivity optimization; Euler–Bernoulli beam theory; Hydrodynamic function
A comparative study of experimental and theoretical results of conformations of oxovanadium(IV) complexes with 4-acyl pyrazolone ligands using DFT method
Keywords: بهینه سازی هندسه; Acylpyrazolone; DFT; HOMO; Oxovanadium(IV); Geometry optimization;
SOI Hall cells design selection using three-dimensional physical simulations
Keywords: بهینه سازی هندسه; Hall cells; SOI technology; Device design; Geometry optimization; Three-dimensional physical simulations;
Regioselective synthesis, stereochemical structure, spectroscopic characterization and geometry optimization of dispiro[3H-indole-3,2′-pyrrolidine-3′,3″-piperidines]
Keywords: بهینه سازی هندسه; QDXATJRSWHTDJN-FFPBKMOMSA-NX-ray structure determination; IR and NMR spectroscopy; Geometry optimization; Piperidines
A Cs2CO3-mediated simple and selective method for the alkylation and acylation of 3,4-dihydropyrimidin-2(1H)-thiones
Keywords: بهینه سازی هندسه; 3,4-dihydropyrimidin-2(1H)-thiones; Cesium carbonate; Regioselectivity; Selective S-alkylation; Selective N3-acylation; Geometry optimization
Discrete geometry optimization for reducing flow non-uniformity, asymmetry, and parasitic minor loss pressure drops in Z-type configurations of fuel cells
Keywords: بهینه سازی هندسه; PEM fuel cell; Z-type configuration; Flow field; Flow distribution; Geometry optimization;
Channel geometry optimization using a 2D fuel cell model and its verification for a polymer electrolyte membrane fuel cell
Keywords: بهینه سازی هندسه; Geometry optimization; A proton exchange membrane fuel cell; Experimental verification; Computational fluid dynamic analysis; Genetic algorithm;
FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; XÂ =Â F, Cl, Br, I)
Keywords: بهینه سازی هندسه; Infrared spectrum; Raman spectrum; Ab initio; Density functional theory; Geometry optimization; Atomic polar tensor; Vibrational assignment;
Reprint of “Theory of chemical bonds in metalloenzymes XVIII. Importance of mixed-valence configurations for Mn5O5, CaMn4O5 and Ca2Mn3O5 clusters revealed by UB3LYP computations. A bio-inspired strategy for artificial photosynthesis”
Keywords: بهینه سازی هندسه; Mixed valence; CaMn4O5; UB3LYP; Water oxidation; Geometry optimization; Artificial photosynthesis; Strongly correlation electron systems (SCES);
First principles calculation on structural and lattice dynamic of SnTiO3 and SnZrO3
Keywords: بهینه سازی هندسه; Paraelectric; Density of state; Lattice dynamic; Geometry optimization
Numerical simulation of glottal flow
Keywords: بهینه سازی هندسه; Glottal flow; Numerical simulation; Weakly compressible flow; Geometry optimization; Respiration; Airflow resistance; Volumetric flow rate
Designing the 3D-microbattery geometry using the level-set method
Keywords: بهینه سازی هندسه; 3D-microbattery; Level-set method; Geometry optimization; Finite element simulations
Theory of chemical bonds in metalloenzymes XVIII. Importance of mixed-valence configurations for Mn5O5, CaMn4O5 and Ca2Mn3O5 clusters revealed by UB3LYP computations. A bio-inspired strategy for artificial photosynthesis
Keywords: بهینه سازی هندسه; Mixed valence; CaMn4O5; UB3LYP; Water oxidation; Geometry optimization; Artificial photosynthesis; Strongly correlation electron systems (SCES)
Molecular dynamics simulation and quantum mechanical calculations on α-d-N-acetylneuraminic acid
Keywords: بهینه سازی هندسه; N-Acetylneuraminic acid; Conformation; MD simulation; QM calculation; Geometry optimization
Stable structures of Al510-800 clusters and lowest energy sequence of truncated octahedral Al clusters up to 10,000 atoms
Keywords: بهینه سازی هندسه; Aluminum clusters; Geometry optimization; Truncated octahedron; Growth sequence;
Encapsulating ruthenium and osmium with tris(2-aminoethyl)amine based tripodal ligands
Keywords: بهینه سازی هندسه; Ru/Os-complex; Tris(2-aminoethyl)amine Schiff base; Coordination cage; Fluorescence; DFT calculation; Geometry optimization
Novel acid mono azo dye compound: Synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoic acid
Keywords: بهینه سازی هندسه; Azo dye; Azo-hydrazone tautomerism; Vibrational analysis; Geometry optimization; DFT; Optical properties
Structure of the antiviral stavudine using quantum chemical methods: Complete conformational space analysis, 3D potential energy surfaces and solid state simulations
Keywords: بهینه سازی هندسه; Stavudine; Zerit; D4T; Structure-activity; Anti-HIV; Geometry optimization