A New Definition of Local Aromaticity
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概要
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In this paper, we present a new method to calculate the stability of the hexagons in a molecule. The propagator is used to clarify the characteristic feature of hexagons. With this method, the difference of the stability between an isolated benzene and a hexagon can be easily estimated. Furthermore, we define local aromaticity to explain the extra stability of the hexagon. The validity of classical Kekule structures is discussed to compare quantum chemical calculation with chemical structure theory.
- 高山自動車短期大学の論文
- 2001-01-31
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関連論文
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