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Density functional theory electrons

Nitrogen adsorption isotherms were measured with a sorbtometer Micromeretics Asap 2010 after water desorption at 130°C. The distribution of pore radius was obtained from the adsorption isotherms by the density functional theory. Electron microscopy study was carried out with a scanning electron microscope (SEM) HitachiS800, to image the texture of the fibers and with a transmission electron microscope (TEM) JEOL 2010 to detect and measure metal particle size. The distribution of particles inside the carbon fibers was determined from TEM views taken through ultramicrotome sections across the carbon fiber. [Pg.56]

Density functional theory Electron affinity Electron transfer... [Pg.39]

Keywords Density functional theory Electron localization function Maximum probability domains Molecular orbitals... [Pg.119]

Finite Element Method in Density Functional Theory Electronic Structure Calculations... [Pg.199]

See other pages where Density functional theory electrons is mentioned: [Pg.46]    [Pg.294]    [Pg.33]    [Pg.358]    [Pg.7]    [Pg.1]    [Pg.106]    [Pg.2]   
See also in sourсe #XX -- [ Pg.136 ]



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Density functional theory electron affinities

Density functional theory electron correlation procedures

Density functional theory electron transfer

Density functional theory electronic chemical potential

Density functional theory electronic circular dichroism

Density functional theory electronic structure calculations

Density functional theory electronic structure methods

Density functional theory intermolecular interactions, electron

Density functional theory many-electron system energy

Density functional theory-electron spin resonance calculations

Density-functional theory electronic problem

Electron correlation method Density-functional theory Mpller-Plesset

Electron correlation method, Density-functional theory

Electron density function

Electron density functionals

Electron functionalization

Electron-correlated calculations, nuclear density functional theory

Electronic Motion Density Functional Theory (DFT)

Electronic Structure Calculations Via Density Functional Theory

Electronic density function

Electronic structure density-functional theory

Electronic structure methods periodic density functional theory

Gauge-including atomic orbital density functional theory, electron

Gradient corrected density functional theory electronic structure

Independent-electron models density functional theory

Molecular orbitals , nuclear magnetic density functional theory, electron

Time-dependent density functional theory electronic excitations

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