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Literature DB >> 23247409

On the exponential model for energy with respect to number of electrons.

Abstract

Using an exponential model for the variation in energy with respect to the number of electrons it is shown that, within the model, the hardness, softness, electrophilicity and other global parameters connected to higher order derivatives follow an equalization principle after a molecule is formed from two separated species. Two generalizations of the model are also discussed, one of which presents discontinuity of the chemical potential at integer values of N.

Entities: Disease

Mesh：

Year: 2012 PMID： 23247409 DOI： 10.1007/s00894-012-1708-5

Source DB: PubMed Journal: J Mol Model ISSN： 0948-5023 Impact factor: 1.810

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