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Not too surprisingly it has more electron deformation density in it; 0.2, right?
Now the total amount of deformation density in this region, where there's a single carbon-carbon bond, is only 1/10th of an electron.
ETS-NOCV analysis was applied to decompose the deformation density (the difference between electron densities of composed systems and non-interacting fragments) into independent density flow channels.
Deformation density of the sulfur's lone electron pair, topological properties of DH⋯S interactions and electrostatic potential are here examined in order to comprehend the mutual influence and potential cooperative effects of the four simultaneously formed interactions to each of the S acceptors.
Figure 9 Deformation density and Mayer bond orders are shown for boron on (8,0) BNNT at different strains.
The deformation density, i.e. the difference between the total electron density and the superposition of spherical atomic densities (hereinafter called the promolecule), enabled the visualization of the so-called σ-hole, first anticipated by Politzer et al. [51],[52] using quantum chemical calculations.
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The weak dependence arises from the change of the membrane deformation energy density relative to the adhesion energy density.
There is another model called the uniform deformation energy density model (UDEDM) that can be used to determine the energy density of a crystal.
With their large deformation, low density, various stimulation methods, good biocompatibility and other advantages, SMPs have become widely accepted as smart materials.
The dynamic shear modulus for elastomers is expressed by a nonlinear visco-hyperelastic model based on a deformation energy density.
The deformation electron density shows that the intrinsic tetrahedral-type bonds in FCC Al and Cu are transformed into an amorphous type in liquid Al80Cu20.
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