Keywords: انرژی یونیزاسیون; LDPI-MS; laser desorption postionization mass spectrometry; VUV; vacuum ultraviolet; CNTs; carbon nanotubes; BNNTs; boron nitride nanotubes; IR; infrared; g-C3N4; graphitic carbon nitride; h-BN; hexagonal boron nitride; PALDI-MS; plasma assisted laser des
مقالات ISI انرژی یونیزاسیون (ترجمه نشده)
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Keywords: انرژی یونیزاسیون; 2-Quinolone cation; Electronic states; Ab initio computations; Ionization energies; DNA analogs
Binding energies of the 1s22s22pj states in boronlike argon
Keywords: انرژی یونیزاسیون; Highly charged ions; QED corrections; Correlation effects; Binding energies; Ionization energies;
Reorganization, activation and ionization energies for hole transfer reactions through inosine-cytosine, 2-aminopurine - Thymine, adenine-thymine, and guanine-cytosine base pairs: A computational study
Keywords: انرژی یونیزاسیون; Reorganization energies; Activation energies; Ionization energies; DNA bases and base pairs;
First principles study of the binding energies of pure metals using FP-LAPW method
Keywords: انرژی یونیزاسیون; Core hole; Binding energies; Ab-initio calculations; Ionization energies; XPS experiments;
The Se-H bond of benzeneselenols (ArSe-H): Relationship between bond dissociation enthalpy and spin density of radicals
Keywords: انرژی یونیزاسیون; Benzeneselenol; Bond dissociation enthalpies; Antioxidants; Mulliken atomic spin densities; Proton affinities; Ionization energies; Hammett's correlations;
Size effects on cation heats of formation. I. Methyl substitutions in nitrogenous compounds
Keywords: انرژی یونیزاسیون; Cation heats of formation; Graphical method; Nitrogenous compounds; Ionization energies;
Thermochemical parameters of caffeine, theophylline, and xanthine
Keywords: انرژی یونیزاسیون; Caffeine; Theophylline; Xanthine; Uracils; Imidazoles; Heats of formation; Ionization energies; Quantum chemical calculations
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: انرژی یونیزاسیون; Electrochemical stability; Ionic liquids; Density functional theory; Electron affinities; Ionization energies; Functional group
Gas-phase synthesis and characterization of heteroleptic divalent germanium compounds by FVT/UV-PES
Keywords: انرژی یونیزاسیون; Germylene; Low-coordinated germanium compounds; UV photoelectron spectroscopy; Ionization energies; Quantum mechanical calculation; Flash vacuum thermolysis
Medium and high resolution vacuum UV photoabsorption spectroscopy of methyl iodide (CH3I) and its deuterated isotopomers CD3I and CH2DI. A Rydberg series analysis
Keywords: انرژی یونیزاسیون; V-UV photoabsorption; Medium and high resolution; Synchrotron radiation; Rydberg states; Ab initio calculations; Ionization energies; Isotopomers; CH3I; CD3I; CH2DI;
Effects of substituents on the electronic properties of polyacetylenes
Keywords: انرژی یونیزاسیون; Conducting polymers; Ionization energies; Electron affinities; Optical transition energies; Polyacetylenes;
Effects of dielectric screening and position dependent effective mass on donor binding energies and on diamagnetic susceptibility in a quantum well
Keywords: انرژی یونیزاسیون; Quantum well; Dielectric-screening functions; Position dependent effective mass; Diamagnetic susceptibility; Ionization energies;
Local and non-local properties controlling the strength of Brønsted acids and bases
Keywords: انرژی یونیزاسیون; Brønsted acids; Bases; Ionization energies; Bond energies; Electrostatic energies;
Cytosine neutral molecules and cation-radicals in the gas-phase
Keywords: انرژی یونیزاسیون; Cytosine tautomers; Cytosine cation-radicals; Ionization energies; Neutralization-reionization; Ab initio calculations;
Direct determination of the ionization energy of histidine with VUV synchrotron radiation
Keywords: انرژی یونیزاسیون; Ionization energies; Amino acids; Single photon ionization; Biological nanoparticles; Ab-initio calculations
Natural orbital functional theory: ionization potentials, equilibrium geometries and vibrational frequencies
Keywords: انرژی یونیزاسیون; Natural orbital functional; Electron correlation; Ionization energies; Equilibrium bond distances; Harmonic frequencies;
Photoionization cross-sections: a guide to electronic structure
Keywords: انرژی یونیزاسیون; Variable photon energy photoelectron spectroscopy; Transition metal molecules; Photoionization cross-sections; Ionization energies; Molecular orbitals;