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The inhibition effect of inhibitor is related to its functional groups, steric effect, orbital character of donating electrons and electronic density of donor atoms [15, 16].
electron density in the ionosphere; electronic density gradient; small-scale instabilities.
The highest occupied molecular orbital (HOMO) electronic density distribution shows localization of the electrons on the bipyridine in both cases.
The ground state electronic density of a cluster with 20 electrons and r s =4 is shown in Figure1a.
Figure5 shows the time evolution of the electronic density of the spherical cluster with N = 106 electrons.
Electronic density meters can also be used to measure specific gravity.
The main electronic density functional code we use is the DFT++ package.
SPQ and MPQ have a slight increase in the quinoline electronic density in comparison to PQ.
Regarding the electronic structure of FeTi, we analyze the band structure and electronic density of states.
A kinetic-energy cut-off for the wavefunction of 46 Ry and a kinetic-energy cut-off of the electronic density of 460 Ry were used.
Thus, the electronic density of states is completely spin polarized at the Fermi level, and the conductivity is dominated by these metallic single-spin charge carriers.
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