Keywords: مطالعه ارتعاش; Crystal structures; X-ray; NMR; Vibrational study; DFT; HF;
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Synthesis, crystal structure, and vibrational and magnetic properties of Co(II) and Hg(II) complexes with an 8-hydroxyquinoline unit
Keywords: مطالعه ارتعاش; Bis(8-hydroxyquinolinium) tetrachlorometalate (II); Crystal structure; Magnetic property; Thermal analysis; Vibrational study;
Structural and vibrational study of diphenylhydrazine dihydrogenophosphate single crystal (C6H9N2)2H2P2O7 (DPHDP)
Keywords: مطالعه ارتعاش; Crystal structure; Diphenylhydrazine dihydrogenophosphate; X-ray diffraction; Vibrational study;
Synthesis, crystal structure, and vibrational and DFT simulation studies of benzylammonium dihydrogen phosphite
Keywords: مطالعه ارتعاش; Organophosphite; X-ray diffraction; Vibrational study; Density functional theory; UV-Visible spectroscopy; Photoluminescence;
Phase transition and conduction mechanism study by overlapping large-polaron tunnelling model in Li2MoO4 ceramic compound
Keywords: مطالعه ارتعاش; Li2MoO4 compound; Vibrational study; Electric study; The overlapping large-polaron tunneling model;
Growth, crystal structure, Hirshfeld surface, dielectric and vibrational properties of a new inorganic-organic single crystal: (C5H6N2Cl)2TeCl6
Keywords: مطالعه ارتعاش; Hybrid material; Phase transitions; Thermogravimetric analysis (TGA); Dielectric properties; Vibrational study;
Crystal structure, charge distribution and vibrational study of strontium monohydrogen (SrHAsO4)
Keywords: مطالعه ارتعاش; SrHAsO4; Crystal structure; Charge distribution analysis; Vibrational study;
Optical and complex impedance analysis of double tungstates of mono- and trivalent metals for LiGd(WO4)2 compound
Keywords: مطالعه ارتعاش; LiGd(WO4)2; Vibrational study; Electrical properties; Absorption spectra;
Crystal structure, vibrational studies, optical properties and DFT calculations of 2-amino-5-diethyl-aminopentanium tetrachlorocadmate (II)
Keywords: مطالعه ارتعاش; X-ray diffraction; Tetrachlorocadmate (II); Vibrational study; DFT calculations; Optical absorption
Synthesis, crystal structure and infrared and Raman spectra of a sodium barium orthoarsenate (V) nonahydrate NaBaAsO4(H2O)9
Keywords: مطالعه ارتعاش; Sodium barium orthoarsenate (V) nonahydrate; Solid-state synthesis; Crystal structure; Vibrational study;
Crystal structure and vibrational spectral studies of a new organic–inorganic crystal: 4-Benzylpiperidinium trioxonitrate
Keywords: مطالعه ارتعاش; 4-Benzylpiperidinium; X-Ray diffraction; Vibrational study; DFT calculations
Experimental FT-IR, Laser-Raman and DFT spectroscopic analysis of 2,3,4,5,6-Pentafluoro-trans-cinnamic acid
Keywords: مطالعه ارتعاش; FT-IR spectra; Laser-Raman spectra; Vibrational study; Pentafluoro-trans-cinnamic acid
Vibrational frequency analysis, FT-IR, DFT and M06-2X studies on tert-Butyl N-(thiophen-2yl)carbamate
Keywords: مطالعه ارتعاش; FT-IR spectra; HOMO-LUMO; Vibrational study; Thiophene;
Experimental FT-IR, Laser-Raman and DFT spectroscopic analysis of a potential chemotherapeutic agent 6-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Keywords: مطالعه ارتعاش; FT-IR spectra; Laser-Raman spectra; Vibrational study; Pyrimidine-5-carbonitrile
Structural, spectroscopic, optical, dielectric and mechanical study of pure and l-Proline doped ammonium dihydrogen phosphate single crystals
Keywords: مطالعه ارتعاش; Solution growth; HR-XRD; Vibrational study; Optical study; Dielectric study
Vibrational spectroscopy (FT-IR and Laser-Raman) investigation, and computational (M06-2X and B3LYP) analysis on the structure of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone
Keywords: مطالعه ارتعاش; FT-IR spectra; Laser-Raman spectra; Vibrational study; Thiosemicarbazone
Vibrational frequency analysis, FT-IR and Laser-Raman spectra, DFT studies on ethyl (2E)-2-cyano-3-(4-methoxyphenyl)-acrylate
Keywords: مطالعه ارتعاش; FT-IR spectra; Laser-Raman spectra; Vibrational study; Methoxyphenyl
Synthesis, characterization and computational study on ethyl 4-(3-Furan-2yl-acryloyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Keywords: مطالعه ارتعاش; Chalcones; Vibrational study; Electronic descriptors; QTAIM; MEP
FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Keywords: مطالعه ارتعاش; Vibrational study; Hyperpolarizablity; PES; MEP; NBO
Vibrational spectroscopy investigation using M06-2X and B3LYP methods analysis on the structure of 2-Trifluoromethyl-10H-benzo[4,5]-imidazo[1,2-a]pyrimidin-4-one
Keywords: مطالعه ارتعاش; FT-IR spectra; Laser-Raman spectra; Vibrational study; Imidazo
Use of vibrational spectroscopy to study 4-benzyl-3-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione: A combined theoretical and experimental approach
Keywords: مطالعه ارتعاش; FT-IR spectra; Laser-Raman spectra; Vibrational study; 1,2,4-Triazole
The biomolecule, 2-[(2-methoxyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile: FT-IR, Laser-Raman spectra and DFT
Keywords: مطالعه ارتعاش; FT-IR spectra; Laser-Raman spectra; Vibrational study; Pyrimidine-5-carbonitrile;
DFT study of conformational and vibrational characteristics of 2-(2-hydroxyphenyl)benzothiazole molecule
Keywords: مطالعه ارتعاش; Optimized molecular geometries; Conformational study; Vibrational study; HOMO–LUMO; NBO analysis
Experimental (FT-IR, NMR and UV) and theoretical (M06-2X and DFT) investigation, and frequency estimation analyses on (E)-3-(4-bromo-5-methylthiophen-2-yl)acrylonitrile
Keywords: مطالعه ارتعاش; FT-IR spectra; Laser-Raman spectra; Vibrational study; Methylthiophene;
FT-IR and Raman spectra and DFT calculations on bis(L-histidinato)nickel(II) monohydrate
Keywords: مطالعه ارتعاش; Bis(L-histidinato)nickel(II) Monohydrate; Amino acid complexes; Vibrational study; FT-IR spectroscopy; Raman spectroscopy; DFT calculations
Structural, vibrational and DSC investigations of the bis-4-benzyl piperidinium tetraoxoselenate monohydrate crystal
Keywords: مطالعه ارتعاش; 4-Benzyl piperidinium; X-ray diffraction; Vibrational study; DFT calculations
Solid state characterization of an antioxidant alkaloid boldine using vibrational spectroscopy and quantum chemical calculations
Keywords: مطالعه ارتعاش; Boldine; Vibrational study; IR; Raman spectroscopy; Electrostatic potential surface; Ab initio; DFT calculations
FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study
Keywords: مطالعه ارتعاش; Hartree–Fock; Nicotinamide; Vibrational study; Density functional theory
Molecular structure and vibrational spectroscopic analysis of an antiplatelet drug; clopidogrel hydrogen sulphate (form 2) – A combined experimental and quantum chemical approach
Keywords: مطالعه ارتعاش; Clopidogrel hydrogen sulphate; Vibrational study; IR; Raman spectroscopy; Ab initio; DFT calculations
Vibrational study of thiophene and its solvation in two polar solvents, DMSO and methanol by Raman spectroscopy combined with ab initio and DFT calculations
Keywords: مطالعه ارتعاش; Thiophene; Vibrational study; Raman spectroscopy; Hydrogen bonding; Ab initio and DFT calculations; Solvent effect
Vibrational study of tamoxifen citrate polymorphism
Keywords: مطالعه ارتعاش; Tamoxifen citrate polymorphism; Raman spectroscopy (Raman Microscopy, Hot-stage Raman microscopy); IR spectroscopy (ATR/FT-IR); X-ray powder diffraction (XRPD); Solid state properties; Vibrational study