Keywords: خواص ترمودینامیکی; Electronic structure; DFT; Hyperpolarizability; Electric properties; Thermodynamical properties;
مقالات ISI خواص ترمودینامیکی (ترجمه نشده)
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Keywords: خواص ترمودینامیکی; Ideal gas; Molecular dynamics; Thermodynamical properties;
Keywords: خواص ترمودینامیکی; Mixed spin; Four-spin interactions; Transverse field; Thermodynamical properties;
High pressure phonon and thermodynamic properties of Ru based intermetallics: A DFT investigation
Keywords: خواص ترمودینامیکی; Electron localization function; Bader charges; Optical and acoustic modes; Phonon density of states; Thermodynamical properties; High pressure and temperature;
Corotating two-body system of identical Kerr sources
Keywords: خواص ترمودینامیکی; Binary system; Corotating Kerr sources; Thermodynamical properties;
First-principles calculations for the mechanical properties of Ti-Nb-B2 solid solutions
Keywords: خواص ترمودینامیکی; Ti-Nb-B2 solid solutions; First-principles calculations; Electronic and phonon states; Thermodynamical properties;
Thermodynamic and transport properties of Ca-doped nickel oxide and relevance to the oxidation of CaO-coated- nickel
Keywords: خواص ترمودینامیکی; Diffusion; Electrical conductivity; Thermoelectric power; Kinetic demixing; Thermodynamical properties; Ni oxidation.;
Synthesis and bio-physicochemical properties of amide-functionalized N-methylpiperazinium surfactants
Keywords: خواص ترمودینامیکی; Piperazinium surfactants; Self-aggregation; Thermodynamical properties; Aggregate size; DNA compaction; Cytotoxicity;
Thermodynamical properties of the mixed spin Blume-Capel model with four-spin interactions
Keywords: خواص ترمودینامیکی; Mixed spin; Four-spin interactions; Crystal field interaction; Thermodynamical properties;
Lattice dynamical properties of TcB2 compound
Keywords: خواص ترمودینامیکی; Phonon properties; Thermodynamical properties; TcB2
Structural, electronic, elastic, thermodynamic and vibration properties of TbN compound from first principles calculations
Keywords: خواص ترمودینامیکی; TbN; Structural properties; Elastic properties; Electronic properties; Thermodynamical properties; Ab initio calculations;
Inverse method for the identification of the enthalpy of phase change materials from calorimetry experiments
Keywords: خواص ترمودینامیکی; Inverse method; Identification; Enthalpy; Thermodynamical properties; Phase change material; Pure substance; Binary solution; Differential scanning calorimetry; Thermogram
Ab initio total energy calculation of the dynamical stability of noble metal carbides
Keywords: خواص ترمودینامیکی; Transition metal carbides; First principles; Phonons; Thermodynamical properties
Structural, elastic, and lattice dynamical properties of YB2 compound
Keywords: خواص ترمودینامیکی; Ab initio calculations; Phonons; Thermodynamical properties; Elastic properties; YB2
Thermodynamics of Bose-Einstein gas trapped in D-dimensional quartic potentials
Keywords: خواص ترمودینامیکی; Bose-Einstein condensation; Anharmonic potentials; Thermodynamical properties; Finite number effects;
The structural, electronic, elastic, phonon, and thermodynamical properties of the SmX (X = P, Sb, Bi) compounds
Keywords: خواص ترمودینامیکی; 62.20.D−; 63.20.D−; 65.40.−b; 71.15.Mb; 71.15.NcElastic properties; Lattice dynamics; Thermodynamical properties; Electronic band structure; Ab-initio calculation
Complex formation study of thermodynamical, structural properties and density of states of Al–Mg binary alloy
Keywords: خواص ترمودینامیکی; 68.03−g; 64.70 Fx; 65.20+w; 61.25 Mv; 65.50+m; 71.25 CzComplex formation model; Thermodynamical properties; Electronic structure calculations; Density functional theory (DFT)
The first principles study on PtC compound
Keywords: خواص ترمودینامیکی; PtC; Band structure; Elastic properties; Thermodynamical properties
A new method to calculate the thermodynamical properties of liquids from accurate speed-of-sound measurements
Keywords: خواص ترمودینامیکی; Recursive equations; Thermodynamical properties; Liquid phase; Speed-of-sound
Stability, electronic and mechanical properties of Fe2B
Keywords: خواص ترمودینامیکی; 71.20.−b; 71.15.Nc; 71.20.Be; 62.20.Dc; 65.40.GrDensity functional theory; Semi-iron boride; Thermodynamical properties; Electronic structures; Elastic constants
Thermodynamical stabilities of metal-borohydrides
Keywords: خواص ترمودینامیکی; Hydrogen absorbing materials; Mechanical alloying; Thermodynamical properties; Thermal analysis
First-principles study on thermodynamical stability of metal borohydrides: Aluminum borohydride Al(BH4)3
Keywords: خواص ترمودینامیکی; 65.40.−− b; 71.20.Ps; 61.66.FnInorganic materials; Thermodynamical properties; Computer simulation
Specific heat of magnetic and semiconductor quasiperiodic structures
Keywords: خواص ترمودینامیکی; Quasicrystals; Spin waves; Phonons; Thermodynamical properties;