The Quantum Information Theory (IT) perspective on entropic origins
of the molecular electronic structure and chemical reactivity is
examined in this book. The classical IT of Fisher and Shannon has
already provided sensitive probes of the chemical bond patterns in
molecules, generating tools for the bond spatial localization,
formulating entropic measures of its overall multiplicity, and
providing indices of the bond covalent/ionic composition. However,
the amount of information carried by the particle distribution
alone is not sufficient for a complete IT description of complex
wavefunctions in molecular quantum mechanics, e.g., degenerate
electronic states. The latter exhibit finite spatial phases and
generate nonvanishing electronic currents. This monograph
emphasizes the entropic chemical concepts due to the phase part of
electronic states.
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