Keywords: انتقال الکترونیک; Cyanine dyes; Methine cyanine dyes; Dimethine cyanine dyes; Synthesis; Electronic transitions; Solvent effects on spectra;
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Keywords: انتقال الکترونیک; Acrylic paints; UV-vis-NIR spectroscopy; Electronic transitions; Spinel pigments; Contemporary art; XRD; XRF;
Keywords: انتقال الکترونیک; Band gap; Electronic transitions; Graphical method; Semiconductors;
Efficient enhancement of second order nonlinear optical response by complexing metal cations in conjugated 7-substituted coumarin
Keywords: انتقال الکترونیک; Second-order nonlinear optical response; Frontier molecular orbital; Electronic transitions; Density functional theory;
Keywords: انتقال الکترونیک; Nanostructure; Electronic states; Electronic transitions; FERMI energy; Absorption; Film;
Keywords: انتقال الکترونیک; Quantum chemical calculations; Phosphonium ionic liquids; Electrostatic potential; Vibrational frequencies; Electronic transitions
The influence of flexibility on the spectroscopic properties for organic molecules in solution: A theoretical study applied to A3R polypeptide
Keywords: انتقال الکترونیک; Flexibility; Electronic transitions; Nuclear magnetic resonance; Molecular Dynamics; S-MC/QM; TD-DFT; GIAO-NMR;
Relativistic effects in the non-resonant two-photon K-shell ionization of neutral atoms
Keywords: انتقال الکترونیک; Multi-photon ionization; Light-matter interaction; Relativistic effects in atoms; Electronic transitions;
The low-lying electronic states of MgO
Keywords: انتقال الکترونیک; Electronic transitions; Lifetimes; Spectroscopic constants;
ASAS: Computational code for Analysis and Simulation of Atomic Spectra
Keywords: انتقال الکترونیک; Emission spectroscopy; Absorption spectroscopy; Simulations; Electronic transitions;
Rotational analysis and deperturbation of the A 2Î â¯ââ¯X 2Σ+ and Bâ² 2Σ+â¯ââ¯X 2Σ+ emission spectra of MgD
Keywords: انتقال الکترونیک; MgD; Fourier transform spectroscopy; Electronic transitions; Deperturbation;
Synthesis and spectral properties of near-IR polymethine dyes derived from tris(2,2,3,3,4,4,5,5-octafluoropentyl)-9H-fluorene-2,4,7-trisulfonate
Keywords: انتقال الکترونیک; Tris(2,2,3,3,4,4,5,5-octafluoropentyl)-9H-fluorene-2,4,7-trisulfonate; Anionic polymethine dyes; Vis/NIR absorption and fluorescence spectra; DFT and TDDFT calculations; Molecular orbitals; Electronic transitions;
Fourier transform emission spectra of the A2Î Â â X2Σ+ and B2Σ+ â X2Σ+ transitions of ZnD
Keywords: انتقال الکترونیک; ZnD; Fourier transform spectroscopy; Electronic transitions;
Fourier transform emission spectra and deperturbation analysis of the A2Π- X2Σ+ and B2Σ+ - X2Σ+ electronic transitions of ZnH
Keywords: انتقال الکترونیک; ZnH; Fourier transform spectroscopy; Electronic transitions; Deperturbation;
TD-DFT and GIAO-NMR spectroscopy studies for maltose and (α- and β)-glucose in water solution using S-MC/QM polarization methodology
Keywords: انتقال الکترونیک; Electronic transitions; Nuclear magnetic resonance; S-MC/QM; TD-DFT; GIAO-NMR;
Geometry optimization and excited state properties of the new symmetric (E)-Stilbene derivative for application in thermostable polarizing PVA-films: A combined experimental and DFT approach
Keywords: انتقال الکترونیک; (E)-stilbene; Optimization; Electronic transitions; FT-IR; 1H NMR
A theoretical study of the structures and electronic transitions of small silicon nitride clusters (SinNm, n + m ⩽ 4)
Keywords: انتقال الکترونیک; Silicon nitride clusters; Global minimum; Electronic transitions; Ab initio calculations; Density functional theory;
An unsymmetrical ferrocene based azine and its Cu(II) complex: Spectroscopy, crystal structure, electrochemistry and DFT calculations
Keywords: انتقال الکترونیک; Azine; Ferrocene; Crystal structure; Electronic transitions; DFT calculations
Theoretical analyses of the elastic and electronic properties of InAs QDs and QD-in-WELL structures grown on GaAs high index substrates
Keywords: انتقال الکترونیک; InAs QD-IN-WELL; GaAs(11N); Piezo-electric field; Strain distribution; Coulomb interaction; Wetting layer; Finite elements methods; Electronic transitions;
Synthesis and characterization of Co1âxZnxCr2âyAlyO4 as a near-infrared reflective color tunable nano-pigment
Keywords: انتقال الکترونیک; Complex inorganic color pigments (CICPs); Near-infrared reflective pigments; Pechini-type sol-gel; Optical characteristics; Electronic transitions; Colorimetry;
Infrared vibrational and electronic transitions in the dibenzopolyacene family
Keywords: انتقال الکترونیک; Matrix isolation; DFT; Infrared spectroscopy; Vibrational spectroscopy; Electronic transitions; Polycyclic aromatic hydrocarbons
Fourier transform emission spectra of the A2Î Â â X2Σ+ and B2Σ+ â X2Σ+ band systems of CaH
Keywords: انتقال الکترونیک; CaH; Fourier transform spectroscopy; Electronic transitions; Deperturbation;
Fourier transform emission spectra of the A2Î Â â X2Σ+ and B2Σ+ â X2Σ+ transitions of CaD
Keywords: انتقال الکترونیک; CaD; Fourier transform spectroscopy; Emission spectra; Electronic transitions;
Picosecond rotationally resolved stimulated emission pumping spectroscopy of nitric oxide
Keywords: انتقال الکترونیک; Picosecond laser; Nitric oxide; Stimulated emission pumping; Flow cell; Rotational spectrum; Electronic transitions; Population transfer; Pump probe spectroscopy;
Electronic states of 1,4-bis(phenylethynyl)benzene: A synchrotron radiation linear dichroism investigation
Keywords: انتقال الکترونیک; Oligo-p-phenyleneethynylenes (oPPE); Synchrotron radiation; Linear dichroism; UV absorption; Electronic transitions; Polarization;
Electronic spectra and photochemical reactivity of bismuth corrole complexes
Keywords: انتقال الکترونیک; Bismuth complexes; Corroles; Electronic transitions; Photochemistry; Quantum chemical calculations
On the geometric structure, puckering potential and electronic transitions of monosilacyclobutanes and disilacyclobutanes - A theoretical study
Keywords: انتقال الکترونیک; Ring strain; Ring puckering potential; Large amplitude motion; Geometric structure; Electronic transitions; Silacyclobutane;
High-resolution Fourier transform emission spectroscopy of the A1Π-X1Σ+ system of 74Ge80Se
Keywords: انتقال الکترونیک; Fourier transform spectroscopy; Electronic transitions; Emission spectra; GeSe molecule;
Absorption and vibrational spectra of methylamine and its ions using quantum chemical methods
Keywords: انتقال الکترونیک; Methylamine; Absorption spectra; Vibrational spectra; Electronic transitions; Quantum chemical method
Electronic transitions of fluorene, dibenzofuran, carbazole, and dibenzothiophene: From the onset of absorption to the ionization threshold
Keywords: انتقال الکترونیک; Electronic transitions; Synchrotron radiation; Gas phase spectroscopy; Crystal spectroscopy; Linear dichroism (LD); Polarization directions; Time-dependent density functional theory (TD-DFT);
Investigation of the UV–Vis absorption of bis(N-methylthiosemicarbazonato) zinc Zn[ATSM]
Keywords: انتقال الکترونیک; DFT; Electronic transitions; Absorption spectra; ZINDO; Fluorescence; Imaging
Synchrotron radiation linear dichroism (SRLD) investigation of the electronic transitions of quinizarin, chrysazin, and anthrarufin
Keywords: انتقال الکترونیک; Hydroxy-anthraquinones; Electronic transitions; Synchrotron radiation; Linear dichroism (LD); Polarization directions; Transition moments; Time-dependent density functional theory (TD-DFT)
DIET processes on ruthenium surfaces related to extreme ultraviolet lithography (EUVL)
Keywords: انتقال الکترونیک; Electronic transitions; Electron-stimulated desorption;
Influence of technological conditions on electronic transitions in chemical vapor deposited poly(azomethine) thin films
Keywords: انتقال الکترونیک; Polymer thin films; Polyazomethine; Chemical vapor deposition; Electronic transitions
Electronic states of emodin and its conjugate base. Synchrotron linear dichroism spectroscopy and quantum chemical calculations
Keywords: انتقال الکترونیک; Hydroxyanthraquinones; Electronic transitions; Synchrotron radiation; Linear dichroism; Polarization directions; Transition moments; Time-dependent density functional theory (TD-DFT); Solvation models;
Strong ultraviolet luminescence from cerium- and gadolinium-doped cubic boron nitride
Keywords: انتقال الکترونیک; 07.35.+k; 78.40.Dw; 42.72.-g; 71.20.Eh; 78.55.Cr; 78.55.-BqCubic boron nitride; Rare earth elements; Photoluminescence; UV light emitter; High pressure; Electronic transitions
Correlation of electronic transitions and redox potentials measured for pyrocatechol, resorcinol, hydroquinone, pyrogallol, and gallic acid with results of semi-empirical molecular orbital computations – A useful interpretation tool
Keywords: انتقال الکترونیک; Electronic transitions; Cyclic voltammogram; UV absorption; Semi-empirical; Symmetry
Gas-phase electronic spectra of C6NH2 and C8NH2
Keywords: انتقال الکترونیک; Optical spectroscopy; Nitrogen containing hydrocarbons; Laser ablation; Electronic transitions;
Quantum computations of the UV-visible spectra of uric acid and its anions
Keywords: انتقال الکترونیک; Uric acid; TD-DFT; ZINDO; CIS; COSMO; Absorption spectra; Electronic transitions;
The absorption wavelengths of sulfur chromophors of ultramarines calculated by time-dependent density functional theory
Keywords: انتقال الکترونیک; Restricted and unrestricted density functional theory calculations; Time dependent density functional theory calculations; Electronic structure; Symmetry-breaking; Natural population analysis; Natural resonance theory; Electronic transitions; Chromophores
Structural and spectroscopic studies on some chloropyrimidine derivatives by experimental and quantum chemical methods
Keywords: انتقال الکترونیک; Ab initio calculations; Optimized geometries; ESP; Vibrational analysis; Electronic transitions;
Crystal structure, vibrational properties and luminescence of NaMg3Al(MoO4)5 crystal doped with Cr3+ ions
Keywords: انتقال الکترونیک; Phonon properties; Electronic transitions; Crystal structure; Molybdates
Symmetry-lowering distortion of near-infrared polymethine dyes-a study by first-principles methods
Keywords: انتقال الکترونیک; Symmetry-breaking; Singlet-singlet-instability; Singlet-triplet-instability; Hartree-Fock calculations; Restricted and unrestricted density functional theory calculations; Polarizable continuum model calculations; Electronic transitions;
Hole-burning spectroscopy of coordination compounds
Keywords: انتقال الکترونیک; Electronic transitions; Hole-burning; Hyperfine interaction; Homogeneous broadening; Inhomogeneous broadening; Coordination compounds; Zeeman effect