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Bond critical point, AIM definition

The second very important point in AIM theory is its definition of a chemical bond, which in the context of gradient paths, is straightforward. In fact, some gradient paths do not start from infinity but from a special point, the bond critical point, located between two nuclei. [Pg.8]

The theory of AIM allows one to study the concept of chemical bond and the bond strength in terms of electron density distribution function [6, 193]. It exploits the topological features of electron density and thereby a definition of chemical bonding through bond path and bond critical point (BCP). A BCP (it is a point at which gradient vector vanishes, Vp(r) = 0) is found between the [Pg.12]

This correlation is illustrated in Figure 1.44. Polarizability is related to softness. Expressed as it is proportional to softness, approximated by 2/(IP-EA). DFT also suggests explicit definitions of covalent and van der Waals radii. The covalent radius in the AIM context is defined by the location of the bond critical point [Pg.96]


See other pages where Bond critical point, AIM definition is mentioned: [Pg.275]    [Pg.33]    [Pg.72]    [Pg.297]    [Pg.2101]    [Pg.447]    [Pg.144]    [Pg.138]    [Pg.91]    [Pg.4]   
See also in sourсe #XX -- [ Pg.63 ]




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AIM

Aiming points

Bond critical point

Bond, definition

Bonding definition

Critical point

Critical point, definition

Point bonding

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