Shannon entropy as a new measure of aromaticity, Shannon aromaticity.

S, Noorizadeh; E, Shakerzadeh

doi:10.1039/b916509f

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Shannon entropy as a new measure of aromaticity, Shannon aromaticity.

Shared by NobleBlocks on Mar 16, 2010 • 12:00 AM UTC

Authors:

Noorizadeh S

Shakerzadeh E

Abstract

Based on the local Shannon entropy concept in information theory, a new measure of aromaticity is introduced. This index, which describes the probability of electronic charge distribution between atoms in a given ring, is called Shannon aromaticity (SA). Using B3LYP method and different basis sets (...

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