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Density Description of AIM

A natural approach of chemical bonding is the integration of atoms in molecule (AIM), i.e., understanding the atom respecting to the rest of the [Pg.230]

DEFINITION AIMl One introduces the partition function of the atom A in a molecule, the positive spatially dependent measure 0 a (x) 1, X G 9 , which multiplied with the total electronic density (positive) from the molecule gives the electronic density associated with the atom in question  [Pg.231]

With this defrnition, as specified also in the introductive chapter of this Volume, we can consider the following definition of physical-topological field that may be associated to the atom in molecule. [Pg.231]

DEFINITION AIM2 (of Bader) The physical-topological space available for an atom (A) in a molecule can be defined by a special choice of the partition function, namely [Pg.231]

The advantage of this model is the atoms correlation in molecule with the geometric shape of the distribution of its own electrons, in addition to the advantage of a topological treatment on its own subspaces associated to atoms. [Pg.231]


See other pages where Density Description of AIM is mentioned: [Pg.225]    [Pg.230]   


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