On the exponential model for energy with respect to number of electrons
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2013Metadata
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Fuentealba Rosas, Patricio
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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.
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Artículo de publicación ISI
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J Mol Model (2013) 19:2849–2853
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