Keywords: ارتعاشی; Structural investigation; Vibrational; Nonlinear optical; Molecular structure; Frontier molecular orbital;
مقالات ISI ارتعاشی (ترجمه نشده)
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The vibrational properties of the bee-killer imidacloprid insecticide: A molecular description
Keywords: ارتعاشی; Imidacloprid; Infrared; Raman; Vibrational; DFT;
Keywords: ارتعاشی; DFT; HOMO-LUMO; Molecular structure; NBO; Vibrational; IR and Raman spectra
Keywords: ارتعاشی; WGS catalyst; Mixed oxides; Ceria; Copper; Tungsten; In situ XRD; XAFS; Vibrational;
Keywords: ارتعاشی; Pyridyl-imine-palladium complexes; DFT; Vibrational; HOMO-LUMO;
Structural and vibrational study of a neurotransmitter molecule: Dopamine [4-(2-aminoethyl) benzene-1,2-diol]
Keywords: ارتعاشی; DFT; HOMO-LUMO; Molecular structure; NBO; Vibrational; IR and Raman spectra;
Development of polyacrylonitrile-based polymer electrolytes incorporated with lithium bis(trifluoromethane)sulfonimide for application in electrochromic device
Keywords: ارتعاشی; Polyacrylonitrile; conductivity; vibrational; structural; electrochromic;
Vibrational and luminescent properties of LaPO4:Eu3+ with different preparation conditions
Keywords: ارتعاشی; LaPO4:Eu3+; vibrational; photoluminescence; microstructure; rare earths;
Vibrational mode frequencies of H2S and H2O adsorbed on Ge(0Â 0Â 1)-(2Â ÃÂ 1) surfaces
Keywords: ارتعاشی; Germanium; Vibrational; Mode; Frequency; Stretch; Bending;
The conformational stability, solvation and the assignments of the experimental infrared, Raman, 1H and 13C NMR spectra of the local anesthetic drug lidocaine
Keywords: ارتعاشی; Molecular structure; Free energy of solvation; Vibrational; 1H and 13C NMR spectra and assignments; Lidocaine; Local anesthetic drug
Spectral analysis, vibrational assignments, NBO analysis, NMR, UV-Vis, hyperpolarizability analysis of 2-aminofluorene by Density Functional Theory
Keywords: ارتعاشی; Vibrational; NBO; Hyperpolarizability; UV-Vis; MEP;
The impact of highly correlated potential energy surfaces on the anharmonically corrected IR spectrum of acetonitrile
Keywords: ارتعاشی; VSCF; Anharmonic; Computational spectroscopy; CR-CC(2,3); Overtones; Vibrational;
A comparative study of the conformational equilibria, vibrational, 1H and 13C NMR spectra of isobutyranilide and its derivative the anticancer drug flutamide
Keywords: ارتعاشی; Molecular structure; Vibrational; 1H and 13C NMR spectra and assignments; Isobutyranilide; Flutamid; Anticancer drug;
Site-specific structure of Aβ(25-35) peptide: Isotope-assisted vibrational circular dichroism study
Keywords: ارتعاشی; Amyloid; Beta sheet; Vibrational; Circular dichroism; Infrared; Isotope;
Experimental and theoretical investigations of the molecular structure, the spectroscopic properties and TD-DFT analysis of a new semiconductor hybrid based iron(III)
Keywords: ارتعاشی; Semiconductor material; X-ray diffraction; Hirshfeld surface; Vibrational; Optical; DFT calculations;
Vibrational and dynamic analysis of C60 and C30 fullerenes using FEM
Keywords: ارتعاشی; Vibrational; Dynamic; C60; C30; Fullerene; van der Waals force; FEM;
Spectroscopy of selected copper group minerals: Chalcophyllite and chenevixite-implications for hydrogen bonding
Keywords: ارتعاشی; Chalcophyllite; Chenevixite; Near-infrared and Mid-infrared; Spectroscopy; OH−overtones; Vibrational; Modes of sulphate and arsenate ions
Structural, vibrational and thermodynamics propertiesof Zn-based semiconductors
Keywords: ارتعاشی; Structural; Vibrational; Thermodynamics; DFPT
Vibrational, thermal, optical and magnetic investigations of PVA films filled with FeCl3 and CoCl2
Keywords: ارتعاشی; Polymer; Vibrational; Thermal; Optical; Electron paramagnetic resonance; Magnetic susceptibility; FeCl3 and CoCl2 fillers
Minerals from Macedonia. XVI. Vibrational spectra of some common appearing pyroxenes and pyroxenoids
Keywords: ارتعاشی; Infrared; Raman; Vibrational; Spectra; Pyroxene; Pyroxenoid; Macedonia
Temperature-dependent infrared spectra of torsional vibrations in acetic acid
Keywords: ارتعاشی; Vibrational; Spectroscopy; Torsions; Hot bands; Acetic acid;
DFT critical points of the internal rotation potential energy surface and infrared spectra of the [1H], [2H] 2,5-pyrazinedicarboxamide
Keywords: ارتعاشی; Infrared spectroscopy; Structure; 2,5-Pyrazinedicarboxamide; Internal rotation; Vibrational; DFT;
Terahertz laser velocity modulation spectroscopy of ions
Keywords: ارتعاشی; Tetrahertz; Spectroscopy; Velocity modulation; Ions; Rotational; Vibrational;
Polymorphism of ceramide 6: a vibrational spectroscopic and X-ray powder diffraction investigation of the diastereomers of N-(α-hydroxyoctadecanoyl)-phytosphingosine
Keywords: ارتعاشی; Ceramide; Diastereomers; Polymorphism; Hydration; Vibrational; Spectroscopy; X-ray powder diffraction;
Minerals from Macedonia XIII: Vibrational spectra of some commonly appearing nesosilicate minerals
Keywords: ارتعاشی; Vibrational; Infrared; Raman; Spectra; Nesosilicate; Orthosilicate; Minerals; Almandine; Spessartime; Zircon; Titanite; Olivine; Kyanite; Staurolite;