Keywords: نیمه تجربی; High temperature proton exchange membrane fuel cell; Semi-empirical; Modeling; PBI; PVDF;
مقالات ISI نیمه تجربی (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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.
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: نیمه تجربی; Carbon nanotubes; Functionalization; Semi-empirical; Electronic properties; Structural properties;
Quantum mechanical studies of the kinetics, mechanisms and thermodynamics of gas-phase thermal decomposition of ethyl dithiocarbonate (xanthate)
Keywords: نیمه تجربی; Kinetics; Ethyl dithiocarbonate; Semi-empirical; Ab-initio; Transition state; Xanthates;
Keywords: نیمه تجربی; Macroscopic; Scattering; Absorption; Neutrons; Response; He-3 detector; Semi-empirical;
Keywords: نیمه تجربی; Noise; Railway; Pantograph; Aerodynamics; Prediction; Sound; Semi-empirical; Component-based; High-speed train;
Keywords: نیمه تجربی; Semi-empirical; Ionic liquids; Ammonium cation; Simulation; Molecular dynamics;
Keywords: نیمه تجربی; Reliability; Aging; Optimization; Analog; NBTI; HCI; Semi-empirical; Aging Simulation;
Keywords: نیمه تجربی; Ab-initio; Semi-empirical; MO calculations; Möller-Plesset MP2; NDDO; AM1; PM3; 1,4-Diazepines; Tautomerism
The natural food colorant Peonidin from cranberries as a potential radical scavenger - A DFT based mechanistic analysis
Keywords: نیمه تجربی; OS; Oxidative Stress; ROS; Reactive Oxygen Species; RNS; Reactive Nitrogen Species; PG; Pelargonidin; CY; Cyanidin; DP; Delphinidin; PN; Peonidin; PT; Petunidin; MA; Malvidin; DFT; Density Functional Theory; HF; Hartree Fock; HAT; Hydrogen Atom Transfer;
Semi-empirical determination of gamma-ray kerma coefficients for materials of shielding and dosimetry from mass attenuation coefficients
Keywords: نیمه تجربی; Kerma coefficient; γ-rays; Mass attenuation coefficient; Interaction probabilities; Semi-empirical;
The chemical reactivities of DOPA and dopamine derivatives and their regioselectivities upon oxidative nucleophilic trapping
Keywords: نیمه تجربی; Catecholamine; Oxidation; Regioselectivity; Semi-empirical; Polymerisation;
Theoretical investigation of microcystin-LR, microcystin-RR and nodularin-R complexation with α-, β-, and γ-cyclodextrin as a starting point for the targeted design of efficient cyanotoxin traps
Keywords: نیمه تجربی; Cyanotoxin; Cyclodextrin; Inclusion complexes; Complexation efficiency; Semi-empirical; PM7
Semi-empirical RF MOST model for CMOS 65 nm technologies: Theory, extraction method and validation
Keywords: نیمه تجربی; MOS transistor; gm/IDgm/ID; Semi-empirical; RF; Nanometer technology; 65 nm CMOS; Inversion level; CS-LNA; Corner frequency fc.
Sea-level rise impacts on transport infrastructure: The notorious case of the coastal railway line at Dawlish, England
Keywords: نیمه تجربی; Climate change; Adaptation; Resilience; Semi-empirical; Rail network; Economic impact;
Investigation of the inclusion processes of N-acetyl-4-aminophenol with Me-β-cyclodextrin: A computational study
Keywords: نیمه تجربی; Me-β-CD; NAPAP; Semi-empirical; ONIOM2; NBO
Modified split-potential model for modeling the effect of DBD plasma actuators in high altitude flow control
Keywords: نیمه تجربی; DBD system capacitance; Semi-empirical; Thrust estimation; Body force; Barrier discharge; Flow control
Evolution and application of a pseudo-multi-zone model for the prediction of NOx emissions from large-scale diesel engines at various operating conditions
Keywords: نیمه تجربی; Multi-zone; Semi-empirical; NOx emissions; Large-scale diesel engine; IMO Annex VI; Measured pressure trace;
A semi-empirical molecular clustering based lattice model near to and far from the critical region
Keywords: نیمه تجربی; Molecular clustering; Semi-empirical; Lattice fluid; Critical region; Density fluctuation
Theoretical and computational strategies for rational molecularly imprinted polymer design
Keywords: نیمه تجربی; Ab initio; Chemometrics; Molecularly imprinted polymer; Molecular imprinting; Molecular dynamics; Semi-empirical; Thermodynamics
Evaluation of a semi-empirical model in predicting erosion–corrosion
Keywords: نیمه تجربی; Slurry pot erosion tester; Erosion–corrosion; Model; Semi-empirical
Size-dependent polarizabilities of finite-length single-walled carbon nanotubes
Keywords: نیمه تجربی; 73.63.Fg; 77.22.Ej; Carbon nanotube; Finite-length; Polarizability; Chirality; PM3; Semi-empirical;
Semi-empirical along-the-channel model for a proton exchange membrane fuel cell
Keywords: نیمه تجربی; Proton exchange membrane fuel cell; Along-the-channel model; Semi-empirical; Membrane hydration; Temperature distribution
Viscoelastic properties of Kevlar-29 fabric tape strength member
Keywords: نیمه تجربی; Kevlar fabric; Strength member; Viscoelastic; Semi-empirical; Underwater acoustic sensor; Vibration; Nonlinear
Phosphate transfer from inositol pyrophosphates InsP5PP and InsP4(PP)2: A semi-empirical investigation
Keywords: نیمه تجربی; Semi-empirical; PM3; SM5.2; Inositol pyrophosphate; IP7; IP8; InsP5PP; InsP4(PP)2; Phosphate transfer; Phosphorylation
Theoretical investigation on the binding of lysine-containing peptides with dodecyl sulfate ion using semi-empirical calculations
Keywords: نیمه تجربی; Peptide; Lysine; Dodecyl sulfate; Semi-empirical; QSAR; Binding energy;
Conformational analysis of some unsymmetrically substituted 1,4-dihydropyridines
Keywords: نیمه تجربی; 1,4-Dihydropyridines; Conformational analysis; Structure; Semi-empirical; B3LYP;
A comparative study of approaches to direct methanol fuel cells modelling
Keywords: نیمه تجربی; Direct methanol fuel cell; Modelling; Mechanistic; Analytical; Semi-empirical
Correlation of electronic transitions and redox potentials measured for pyrocatechol, resorcinol, hydroquinone, pyrogallol, and gallic acid with results of semi-empirical molecular orbital computations – A useful interpretation tool
Keywords: نیمه تجربی; Electronic transitions; Cyclic voltammogram; UV absorption; Semi-empirical; Symmetry
Theoretical study of self-assembled hydrogen-bonded azodibenzoic acid tapes and rosettes
Keywords: نیمه تجربی; Semi-empirical; Hydrogen bonding; Supramolecular; Molecular orbitals; Density matrices;
A computational study of sulfur bridged cyclooctatetraenophanes
Keywords: نیمه تجربی; Cyclooctatetrene; Cyclophanes; B3LYP; Hartree–Fock; Semi-empirical; Delocalization
Modélisation du profil de température dans un séchoir construit dans l’environnement tropical
Keywords: نیمه تجربی; Séchage; Corrélation; Modélisation; Humidité relative; Semi-empirique; OptimisationDrying; Correlation; Modelling; Relative humidity; Semi-empirical; Optimization
Electronic structure calculations on the thiazole-containing antibiotic thiostrepton: molecular mechanics, semi-empirical and ab initio analyses
Keywords: نیمه تجربی; Thiostrepton; Molecular modelling; Semi-empirical; Ab initio; Conformation; Antibiotic;
Study of the structural and electronic properties of the 1-phenyl-3,3-pentamethylenetriazenes
Keywords: نیمه تجربی; Triazene; Semi-empirical; Hyperchem;
UV-vis, IR and 1H NMR spectroscopic studies of some mono- and bis-azo-compounds based on 2,7-dihydroxynaphthalene and aniline derivatives
Keywords: نیمه تجربی; Azo-derivatives; Dihydroxynaphthalene; Charge transfer; Semi-empirical; ASED-MO;
Structural and vibrational study of a new organic hydrogen sulfate
Keywords: نیمه تجربی; Crystal structure; Organic sulfate; IR spectrum; Semi-empirical; MNDO-PM3;
Properties of a new fluorescent coumarin derivatization reagent employing molecular modelling techniques
Keywords: نیمه تجربی; Coumarin; Fluorescence; Semi-empirical; Ab-initio;
Configurational and conformational analysis of some fully substituted imidazolidinic compounds: a theoretical study
Keywords: نیمه تجربی; Imidazolidines; Thioxo-imidazolidines; Configurational and conformational analysis; Ab initio; Semi-empirical;
Molecular models of zinc phthalocyanines: semi-empirical molecular orbital computations and physicochemical properties studied by molecular mechanics simulations
Keywords: نیمه تجربی; Zinc phthalocyanine; Molecular orbital; Semi-empirical; AM1; Free radicals; Excited states; Ionization potential; Electron affinity; Molecular mechanics; Solvation free energy; Reducing and oxidation potential; Chemical electronegativity and hardness;
Theoretical prediction of gas-phase infrared spectra of imidazo[1,2-a]pyrazinediones and imidazo[1,2-a]imidazo[1,2-d]pyrazinediones derived from glycine
Keywords: نیمه تجربی; Imidazo[1,2-a]pyrazinediones; Imidazo[1,2-a]imidazo[1,2-d]pyrazinediones; Glycine; HF; Hybrid DFT; Semi-empirical;