Keywords: ویژگی های ارتعاشی; Biphenyl; Raman spectroscopy; Vibrational properties; Low temperature;
مقالات ISI ویژگی های ارتعاشی (ترجمه نشده)
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Keywords: ویژگی های ارتعاشی; Helmholtz free energy; Vibrational properties; Anharmonicity; TDEP; SCAILD; Thermodynamic integration; VACF;
Keywords: ویژگی های ارتعاشی; Ab initio; Molecular dynamics simulations; Vitreous silica; Thermal expansion; Glass structure; Vibrational properties;
Keywords: ویژگی های ارتعاشی; Graphene; Silicene; Tersoff potential; Vibrational properties;
Keywords: ویژگی های ارتعاشی; Raman spectroscopy; Polyfurfuryl alcohol; Tannin; Organic foam; Vibrational properties; Characterization;
Keywords: ویژگی های ارتعاشی; B- and N-doped graphene; Vibrational properties; Phonon localization
Keywords: ویژگی های ارتعاشی; Similarity; Heat capacity; Silicon clusters; Germanium clusters; Silicon-germanium clusters; Vibrational properties;
Effect of anti-site point defects on the mechanical and thermodynamic properties of MgZn2, MgCu2 Laves phases: A first-principle study
Keywords: ویژگی های ارتعاشی; Point defects; Laves phases; Vibrational properties; Thermodynamic properties; Electronic properties;
Boroxol ring modification driven by plastic deformations of compacted B2O3 glasses
Keywords: ویژگی های ارتعاشی; Glasses; Vibrational properties; Raman scattering; High pressure effects; Mechanical properties;
Structural, electronic, elastic, vibrational and thermodynamic properties of U3Si2: A comprehensive study using DFT
Keywords: ویژگی های ارتعاشی; U3Si2 alloy; First principles study; Chemical bonding; Vibrational properties; Elastic properties; Thermodynamic properties;
Structural, electronic, magnetic and vibrational properties of half-Heusler NaZrZ (Z = P, As, Sb) compounds
Keywords: ویژگی های ارتعاشی; Half-Heusler alloys; Electronic properties; Magnetic properties; Vibrational properties;
Possible doping of single-layer MoS2 with Pt: A DFT study
Keywords: ویژگی های ارتعاشی; MoS2; Pt doping; DFT; Hybrid functional; Vibrational properties;
Lattice dynamics of Ru2FeX (X = Si, Ge) Full Heusler alloys
Keywords: ویژگی های ارتعاشی; Density functional theory; Full heusler alloys; Vibrational properties; Dispersion relations; Reststrahlen band; Density of states;
First-principles study the structural, electronic, vibrational and thermodynamic properties of Zr1âxHfxCoH3
Keywords: ویژگی های ارتعاشی; Zr1âxHfxCoH3; VCA; Electronic properties; Vibrational properties; Thermodynamic properties;
Structural, electronic, dynamic and thermodynamic properties of Zr1-xHfxH2 hydride alloys: A first-principles study based on the virtual crystal approximation
Keywords: ویژگی های ارتعاشی; Metal hydrides; Ab initio calculation; Structural properties; Electronic properties; Vibrational properties; Thermodynamic properties;
Vibrational assignments and thermodynamic properties of triclinic TATB
Keywords: ویژگی های ارتعاشی; TATB; Vibrational properties; Dielectric properties; Thermodynamic properties; Optical properties;
Investigation of structural, elastic, electronic, optical and vibrational properties of silver chromate spinels: Normal (CrAg2O4) and inverse (Ag2CrO4)
Keywords: ویژگی های ارتعاشی; Inverse spinel; Normal spinel; Electronic properties; Vibrational properties;
Theoretical investigation of the diatomic Van der Waals systems Ca+He and CaHe
Keywords: ویژگی های ارتعاشی; Van der Waals systems; Pseudo-potential; Spectroscopic parameters; Potential energy; Vibrational properties; Dipole moment;
3R and 2H polytypes of MoS2: DFT and DFPT calculations of structural, optoelectronic, vibrational and thermodynamic properties
Keywords: ویژگی های ارتعاشی; MoS2; DFT calculations; Optoelectronic properties; Vibrational properties; Thermodynamic properties;
Influence of single-walled carbon nanotubes enriched in semiconducting and metallic tubes on the electropolymerization of tetrabromo ortho-xylene: Insights on the synthesis mechanism of poly(ortho-phenylenevinylene)
Keywords: ویژگی های ارتعاشی; Poly(ortho-phenylenevinylene); Single-walled carbon nanotubes; Vibrational properties; Photoluminescence; Cyclic voltammetry;
Ab initio vibrational and thermodynamic properties of adamantane, sila-adamantane (Si10H16), and C9Si1H16 isomers
Keywords: ویژگی های ارتعاشی; Adamantane molecule; Sila-adamantane molecule; DFT calculations; Vibrational properties; Thermodynamic properties
Structural, electronic, elastic, vibrational and thermodynamic properties of ZrNi and ZrNiH3: A comprehensive study through first principles approach
Keywords: ویژگی های ارتعاشی; Hydrogen isotope storage; ab-initio method; Electronic properties; Vibrational properties; Elastic properties; Thermodynamic properties;
Magnetic and vibrational properties of Gd2(Mo0.9W0.1O4)3 and Gd1.8Er0.2(MoO4)3
Keywords: ویژگی های ارتعاشی; Molybdates; Structure; Magnetic properties; Vibrational properties
Vibrational study of 5-azacytosine and propanedinitrile under high pressure
Keywords: ویژگی های ارتعاشی; 5-Azacytosine; Propanedinitrile; High pressure; Vibrational properties
First-principles investigation on the mechanical, vibrational and thermodynamics properties of AuCu3-type X3Sc (XÂ =Â Al, Ga, In) intermetallic compounds
Keywords: ویژگی های ارتعاشی; AuCu3-type X3Sc; First-principles; Mechanical properties; Vibrational properties; Thermodynamics properties;
Elastic properties and lattice vibration modes in ZnTe1−xOx
Keywords: ویژگی های ارتعاشی; Elastic properties; Vibrational properties; ZnTe1−xOx system; Ab initio
Analysis of vibrational properties of C-doped hexagonal boron nitride (h-BN)
Keywords: ویژگی های ارتعاشی; Vibrational properties; h-BN; BCN network; Phonon localization
Ground and excited states of BF3+. Coupled cluster and density functional studies
Keywords: ویژگی های ارتعاشی; Double well potential for BF3+; Ab initio and density functional calculations; Failure of density functional methods; Pseudo Jahn-Teller effect; Excited Eâ² and B2 states of BF3+; Vibrational properties; Magnetic properties;
Electronic and vibrational densities of states of ab initio generated nanoporous carbons
Keywords: ویژگی های ارتعاشی; Nanoporous carbon; Ab initio; Simulations; Electronic properties; Vibrational properties
First-principles study of thermoelectric and lattice vibrational properties of chalcopyrite CuGaTe2
Keywords: ویژگی های ارتعاشی; CuGaTe2; Thermoelectric; Vibrational properties; First principles
Temperature-dependent Raman scattering study on Cs4W11O35 and Rb4W11O35 systems
Keywords: ویژگی های ارتعاشی; Raman scattering; Phase transitions; High temperature; Ferroelectric; Vibrational properties
Using Raman spectroscopy to understand the origin of the phase transition observed in the crystalline sulfur based amino acid l-methionine
Keywords: ویژگی های ارتعاشی; Vibrational properties; DFT calculations; Phase transition
Structural, dynamical and thermodynamics properties of YBi
Keywords: ویژگی های ارتعاشی; DFT; Vibrational properties; Thermodynamics properties; YBi
Pressure effect of structural and vibrational properties of solid pentaerythritol by molecular dynamics simulations
Keywords: ویژگی های ارتعاشی; Molecular dynamics; High pressure; High explosives; Vibrational properties;
Structural and vibrational properties prediction of SnnTen clusters (n = 2-8) using the GSAM approach
Keywords: ویژگی های ارتعاشی; Global optimization; Cluster structure; Binding energy; Vibrational properties; Mean polarizability;
DFT simulation of vibrational properties of adenine adsorbed on gold surface: The effect of periodic boundary conditions
Keywords: ویژگی های ارتعاشی; Metal-organic interface; First-principles calculations; Vibrational properties;
Structural and vibrational study of 3- or 5-methyl substituted 2-N-ethylamino-4-nitropyridine N-oxides
Keywords: ویژگی های ارتعاشی; 2-N-ethylamino-3-methyl-4-nitropyridine N-oxide; 2-N-ethylamino-5-methyl-4-nitropyridine N-oxide; Crystal structure; Hydrogen bonds; Vibrational properties; DFT calculations
Effect of oxygen incorporation on the vibrational properties of Al0.2Ga0.3In0.5P:Be films
Keywords: ویژگی های ارتعاشی; Raman spectroscopy; Molecular beam epitaxy; Phosphide materials; Vibrational properties; Optical properties
Graphitic carbon nitride materials synthesized via reactive pyrolysis routes and their properties
Keywords: ویژگی های ارتعاشی; Carbon nitride; Morphology; Vibrational properties; Optical properties
High pressure studies of alkali metal doped fullerides A4C60
Keywords: ویژگی های ارتعاشی; Fullerenes; Vibrational properties characterization; Electrical conductivity; Vibrational properties
Elastic properties and lattice dynamics of alkali chalcogenide compounds Na2S, Na2Se and Na2Te
Keywords: ویژگی های ارتعاشی; A. Semiconductors; C. Ab initio calculations; D. Electronic properties; Vibrational properties
Carbon monoxide interaction with oxygenated nickel single-crystal surfaces studied by vibrational spectroscopy
Keywords: ویژگی های ارتعاشی; Vibrational properties; Physical chemistry; Surface science; High-resolution electron energy loss spectroscopy (HREELS); Oxygen â¼Â â¼Â carbon monoxide â¼Â nickel;
Ab initio calculation of vibrational and thermodynamic properties of SrX (S, Se, Te) in the B1 (NaCl) and B2 (CsCl) structures
Keywords: ویژگی های ارتعاشی; Semiconductors; Vibrational properties; II–VI compounds; Thermodynamic properties; Phase transition
Vibrational and elastic properties of aluminate spinel MgAl2O4
Keywords: ویژگی های ارتعاشی; Aluminate spinel; Zone-centre; Elastic properties; Vibrational properties
Isotopic substitution of boron and carbon in superconducting diamond epilayers grown by MPCVD
Keywords: ویژگی های ارتعاشی; Isotopic effects; Vibrational properties; p-type doping; Superconductivity; Diamond epilayers
Vibrational properties, crystal X-ray diffraction structure and quantum chemical calculations on a divalent sulfur substituted phthalimide: 1H-Isoindole-1,3(2H)-dione, 2-[(methoxycarbonyl)thio]
Keywords: ویژگی های ارتعاشی; Phthalimide; Vibrational properties; X-ray diffraction; Quantum chemical calculations; Conformation;
Vibrational investigations of lanthanide doped strontium barium niobate (SBN) crystals
Keywords: ویژگی های ارتعاشی; Strontium barium niobate; Single crystals; Nanocrystals; Vibrational properties; DFT calculations
Vibrational properties of the filled tetrahedral compounds LiCdP and LiCdAs
Keywords: ویژگی های ارتعاشی; 63.20.dk; 63.20.-e; 63.20.D-; 78.30.Fs; Semiconductors; Ab initio calculations; Vibrational properties;
Density functional theory study of structural, vibrational, and thermodynamic properties of crystalline 2,4-dinitrophenol, 2,4-dinitroresorcinol, and 4,6-dinitroresorcinol
Keywords: ویژگی های ارتعاشی; Density functional theory; Density of states; Vibrational properties; Thermodynamic properties;
Theoretical calculations of the substituent effect on molecular properties of the RCN⋯HF hydrogen-bonded complexes with R = NH2, CH3O, CH3, OH, SH, H, Cl, F, CF3, CN and NO2
Keywords: ویژگی های ارتعاشی; Hydrogen bond; Hydrogen fluoride; Nitriles; Theoretical calculations; Vibrational properties