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The NGM model includes such parameters as the maximal electron density (NmF2) and altitude of the maximum (hmF2).
In the QTAIM, a chemical bond is evidenced by the existence of a bond path (BP) between two atoms, that is, a line of locally maximal electron density, the minimum point on which is a stationary point in the electron density known as the bond critical point (BCP).
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In QTAIM, a chemical bond is defined by the presence of a line of locally maximum electron density [ ρ(r)] along a bond path between two atoms and by a bond critical point (BCP) representing the minimum in the electron density along the locally maximal line.
Minimal and maximal residual electron densities are −0.25 and 0.84 e Å, respectively.
Flack parameter=0.022 6).[ 35, 36] Minimal and maximal residual electron densities are −0.71 and 0.70 e Å, respectively.
It is noteworthy that the cryo-EM-based model structure of Yuan and co-workers was obtained by maximizing the correlation with electron density as experimentally measured in [ 24], while our model structures were obtained by docking methods that generally search for maximal energy gains and the largest interaction interfaces for the docking partners.
By analyzing the diffraction pattern using software, scientists can make a map of the electron density in the crystal.
A carbon atom loses electron density when it bonds to a more electronegative atom and gains electron density when it bonds to a less electronegative atom.
"You have electron density everywhere.
Electron density.
ρ electron density (dimensionless).
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