Abstract
The study of the σ-π energy separation in modern electronic theory for ground states of conjugated systems was presented. The discussion included a description of the π-electron methods, the importance of a rigorous σ-π separation methodology, estimation of the π-bonding energies and evidence for the σ-π interplay in the distortivity of delocalized systems. The study was important for the understanding of fundamental concepts such as conjugation, aromaticity, antiaromaticity and ring currents.
Original language | English |
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Pages (from-to) | 1477-1500 |
Number of pages | 24 |
Journal | Chemical Reviews |
Volume | 101 |
Issue number | 5 |
DOIs | |
State | Published - May 2001 |