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Bond lines/path

Foroutan-Nejad C, Shahbazian S, Marek R (2014) Toward a consistent interpretation of the QTAIM tortuous link between chemical bonds, interactions and bond/line paths. Chem Eur J 20 10140-10152... [Pg.458]

The evaluated fracture energy which is directly influenced by the failure path, may be scattered by the proportion of cohesive failure in the bulk of the bond line or in the interphase. The fracture energy in this case reaches 2525 J/m. ... [Pg.311]

Adhesive bonds will always be susceptible to environmental attack, and it is essential that any such attack should not reduce the strength of the bond to an unacceptable level. The most important factor here is the correct choice of adhesive, but design of the joint can make a significant difference. Thus, a thick bond line offers a ready path for access... [Pg.267]

Vector quantities, such as a magnetic field or the gradient of electron density, can be plotted as a series of arrows. Another technique is to create an animation showing how the path is followed by a hypothetical test particle. A third technique is to show flow lines, which are the path of steepest descent starting from one point. The flow lines from the bond critical points are used to partition regions of the molecule in the AIM population analysis scheme. [Pg.117]

Now we focus on the gradient paths, which do not terminate at a nucleus, but rather link two nuclei. For example, the bond critical point between C and H in Figure 6.14 is the origin of two gradient paths. One gradient path terminates at the hydrogen nucleus, the other at the carbon nucleus. This pair of gradient paths is called an atomic interaction line. It is found... [Pg.151]

The network of bond paths for a molecule is called its molecular graph. It is identical with the network of lines generated by linking together all pairs of atoms that are believed to be bonded to one another according to conventional bonding ideas such as Lewis structures. A bond path can therefore be taken as the AIM definition of a bond. [Pg.152]


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See also in sourсe #XX -- [ Pg.9 ]




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