Keywords: وابستگی الکترونی; Dissociative electron attachment; Electron scattering; Appearance energies; Electron affinities; Bond dissociation energies; Group IV tetrachlorides; Carbon tetrachloride; Silicon tetrachloride; Germanium tetrachloride;
مقالات ISI وابستگی الکترونی (ترجمه نشده)
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Keywords: وابستگی الکترونی; Electron capture detector; Negative ion mass spectra; Temperature dependence; Selective detection; Electron affinities;
Determination of adiabatic ionization potentials and electron affinities of energetic molecules with the Gaussian-4 method
Keywords: وابستگی الکترونی; Adiabatic ionization potentials; Electron affinities; Energetic molecules; Chemical hardness; Physical hardness;
High level ab initio calculations on ClFnâ (n = 1-6): Recoupled pair bonding involving a closed-shell central ion
Keywords: وابستگی الکترونی; Hypervalent molecules; Generalized valence bond theory; Recoupled pair bonding; Coupled cluster methods; Chlorine fluoride anions; Bond energies; Electron affinities;
Negative ion formation through dissociative electron attachment to the group IV tetrabromides: Carbon tetrabromide, silicon tetrabromide and germanium tetrabromide
Keywords: وابستگی الکترونی; Dissociative electron attachment; Carbon tetrabromide; Silicon tetrabromide; Germanium tetrabromides; Bond dissociation energies; Electron affinities;
Effect of heteroatoms substitution on electronic, photophysical and charge transfer properties of naphtha [2,1-b:6,5-bâ²] difuran analogues by density functional theory
Keywords: وابستگی الکترونی; Organic semiconductor materials; Frontier molecular orbitals; Electronic materials; Ionization potentials; Electron affinities;
Novel silanetellones: Structures, ionization potentials, electron affinities, singlet-triplet gaps and Kohn-Sham HOMO-LUMO gaps of the X2SiTe and XYSiTe (X, YÂ =Â H, F, Cl, Br, I and CN) molecules
Keywords: وابستگی الکترونی; Heavy ketones; Silanetellone; Ionization potential; Electron affinities; Singlet-triplet gap; HOMO-LUMO gap;
Probing the electronic structures and properties of neutral and charged CaSin- (n = 2-10) clusters using Gaussian-3 theory
Keywords: وابستگی الکترونی; Calcium-silicon clusters; Electron affinities; Dissociation energies; Charge transfer;
A theoretical study of boron tetrahalides: Structures and electron affinities
Keywords: وابستگی الکترونی; Superhalogens; Electron affinities; Lewis acids; Boron halides; Vertical detachment energies;
DFT/TD-DFT investigation of optical absorption spectra, electron affinities, and ionization potentials of mono-nitrated benzanthrones
Keywords: وابستگی الکترونی; Nitrated benzanthrones; TDDFT; Absorption spectra; Electron affinities; Ionization potentials; LUMO energies;
DFT study of five naphthalimide derivatives: Structures and redox properties
Keywords: وابستگی الکترونی; Naphthalimide derivatives structures; Electron affinities; Ionization potentials; Redox properties; Anti-cancer activity; Dark toxicity;
Low-energy electron elastic scattering cross sections for excited Au and Pt atoms
Keywords: وابستگی الکترونی; Electron-atom scattering; Bound states of negative ions; Electron affinities
Study on structures and electronic properties of neutral and charged MgSin- (n = 2-10) clusters with a Gaussian-3 theory
Keywords: وابستگی الکترونی; Magnesium-silicon clusters; Electron affinities; Dissociation energies; Dipole moments; Charge transfer;
Studies on structures, energetics, and electron affinities of As-nucleobases and their anions with density functional theory
Keywords: وابستگی الکترونی; As-nucleobases; Structures; Electron affinities; DFT;
Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional Theory
Keywords: وابستگی الکترونی; Electrochemical stability; Ionic liquids; Density functional theory; Electron affinities; Ionization energies; Functional group
Theoretical investigation of oligo(fluorene) derivatives containing electron-deficient unit 2-pyran-4-ylidene-malononitrile moiety
Keywords: وابستگی الکترونی; Polyfluorene; Electron affinities; DFT; Reorganization energies;
The alkoxy radicals and their anions: Structures and electron affinities
Keywords: وابستگی الکترونی; Alkoxy radicals; Density functional theory (DFT); Geometries; Electron affinities;
The alkyl peroxyl radicals and their anions: Structures and electron affinities
Keywords: وابستگی الکترونی; Alkyl peroxyl radicals; Density functional theory (DFT); Geometries; Electron affinities;
Effects of substituents on the electronic properties of polyacetylenes
Keywords: وابستگی الکترونی; Conducting polymers; Ionization energies; Electron affinities; Optical transition energies; Polyacetylenes;
Silicon-sodium binary clusters SinNa (n ⩽ 10) and their anions: Structures, thermochemistry, and electron affinities
Keywords: وابستگی الکترونی; Silicon-sodium cluster; Structure; Thermochemistry; Electron affinities; DFT;
DFT and MRCI studies on ground and excited states of CrO2
Keywords: وابستگی الکترونی; Chromium dioxide molecule; Ground state; Excited states in C2v and Cs symmetry; Peroxo and superoxo states; Density functional methods; Multireference configuration interaction methods; Electron affinities; Photoelectron spectrum; Ionization potential; Di
Structures and electron affinities of the halide (Cl, Br) benzene radicals
Keywords: وابستگی الکترونی; Halide benzene radicals; Density functional theory (DFT); Geometries; Electron affinities;
Density functional theory investigations on boronyl-substituted ethylenes C2H4âm(BO)m (m = 1-4) and acetylenes C2H2âm(BO)m (m = 1, 2)
Keywords: وابستگی الکترونی; Boronyl-substituted ethylenes; Boronyl-substituted acetylenes; Density functional theory; Geometries; Electron affinities; Detachment energies;
Structures and electron affinities of silicon hydrides SinH2 (n = 5-10)
Keywords: وابستگی الکترونی; Hydrogenated silicon; Structure; Electron affinities; DFT;
The phosphorus clusters Pn (n=1-6) and their anions: Structures and electron affinities
Keywords: وابستگی الکترونی; Phosphorus cluster; Structure; Electron affinities; DFT;
DFT study on the electron affinities of the chlorinated benzenes
Keywords: وابستگی الکترونی; Chlorinated benzenes; Geometries; Electron affinities; DFT;
Structures and electron affinities of silicon hydrides Si4Hn (n=2-10)
Keywords: وابستگی الکترونی; Silicon hydrides; Structure; Electron affinities; DFT;
The small silicon clusters Sin (n=2-10) and their anions: structures, themochemistry, and electron affinities
Keywords: وابستگی الکترونی; Silicon cluster; Structure; Themochemistry; Electron affinities; DFT;