Keywords: انارمونیک; Anharmonic; EXAFS; Cumulants; Thermodynamic; Doping ratio;
مقالات ISI انارمونیک (ترجمه نشده)
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The 2ν6/ν2 + ν3/ν3 + ν5 band system of CH3Br revisited: Modeling anharmonic and Coriolis interactions in a three-level system near 2000 cmâ1
Keywords: انارمونیک; Methyl bromide; Anharmonic; Coriolis and α-resonance interactions; Combination bands; High resolution; IR absorption;
A new low temperature solid modification in 1-isothiocyanato-4-(transâ4-propylcyclohexyl)benzene (3CHBT) probed by Raman spectroscopy and quantum chemical calculations
Keywords: انارمونیک; Liquid crystal; 3CHBT; Raman signature; Anharmonic; Solid modification; Dimer I (D1); Dimer II (D2);
Morse oscillator propagator in the high temperature limit II: Quantum dynamics and spectroscopy
Keywords: انارمونیک; Morse oscillator; Propagator; Dipole moment time correlation function; Optical line shape; Anharmonic; High temperature limit;
Anharmonic vibrational and electronic spectral study of 2-amino-4-hydroxy-6-methylpyrimidine: A combined experimental (FTIR, FT-Raman, UV-Vis) and theoretical (DFT, MP2) approach
Keywords: انارمونیک; FTIR; FT-Raman; Anharmonic; Mode-mode coupling; UV-Vis;
Structural, vibrational and NMR spectroscopic investigations of newly synthesized 3-((ethylthio)(4-nitrophenyl)methyl)-1H-indole
Keywords: انارمونیک; FTIR; FT-Raman; Anharmonic; MEP; NLO; HOMO-LUMO;
Vibrationally high-resolved electronic spectra of MCl2 (M = C, Si, Ge, Sn, Pb) and photoelectron spectra of MCl2−
Keywords: انارمونیک; Absorption and emission spectra; Photoelectron spectra; Anharmonic; Franck–Condon; Herzberg–Teller
The impact of highly correlated potential energy surfaces on the anharmonically corrected IR spectrum of acetonitrile
Keywords: انارمونیک; VSCF; Anharmonic; Computational spectroscopy; CR-CC(2,3); Overtones; Vibrational;
Molecular structure, anharmonic vibrational analysis and electronic spectra of o-, m-, p-iodonitrobenzene using DFT calculations
Keywords: انارمونیک; Iodonitrobenzenes; Anharmonic; DFT; FTIR; Raman; UV/Vis
The ν3 + ν5 combination band of DCF3: Modeling anharmonic and Coriolis interactions in a three-level system near 1700 cmâ1
Keywords: انارمونیک; Deuterated fluoroform; Anharmonic; Coriolis; α-Resonance interactions; Combination bands;
Estimation of anharmonic parameters, molecular radius, Mr and Beyer's non-linearity parameter, B/A in TBnA series
Keywords: انارمونیک; Thermo acoustic; Anharmonic; Molecular radius; Beyer's nonlinearity parameter;
OH stretching frequencies in systems with intramolecular hydrogen bonds: Harmonic and anharmonic analyses
Keywords: انارمونیک; DFT calculations; Harmonic; Anharmonic; Vibrational spectra; Intramolecular hydrogen bonding;
VSCF in internal coordinates and the calculation of anharmonic torsional mode transitions
Keywords: انارمونیک; VSCF; Internal coordinates; Anharmonic; Torsion;
Anharmonic vibrational analysis of 3,4-diaminopyridine and 3-aminopyridine by density functional theory calculations
Keywords: انارمونیک; Vibrational spectra; DFT; 3-Aminopyridine; 3,4-Diaminopyridine; Anharmonic; UV spectrum
The self-consistent ab initio lattice dynamical method
Keywords: انارمونیک; 65.40.De; 63.20.D−; 71.20.BeSelf-consistent; Phonon calculation; Anharmonic; Phase transition; SCAILD; Phonon–phonon interaction
First-principles computation of the anharmonic vibrational spectra of sulfuryl halides SO2X2 (XÂ =Â F, Cl, Br)
Keywords: انارمونیک; Sulfuryl fluoride; Sulfuryl bromide; Sulfuryl chloride; Vibrational self-consistent field; MP2; Anharmonic; Effective core potential;
Ab initio geometry and anharmonic vibrational spectra of PbX2 halides and PbX2â¯L (X=F, Cl, Br, I; L=CO, N2) complexes
Keywords: انارمونیک; Ab initio; VSCF; Vibrational self-consistent field; Anharmonic; Lead(II)-halide; Carbon monoxide; Dinitrogen;