A PRACTICAL INDEX OF REACTIVITY FOR ALTERNANT SYSTEMS

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概要

• 論文の詳細を見る

• This paper proposes to use the minor of the diagonal component in the squared adjacency matrix as a practical index of reactivity for alternant systems having no nonbonding orbital. This index is a closer approximation to superdelocalizability but can be evaluated much more simply than frontier electron density. It is shown that this index has a simple relation to resonance structures. A few remarks are added concerning Dewar's localization energy and the analysis by Fukui and his coworkers on approximation to superdelocalizability.

• 岐阜聖徳学園大学の論文
• 2001-03-01

著者

• Isihara Makoto

  岐阜聖徳学園大学経済情報学会

関連論文

• BOND DELOCALIZABILITIES OF LINEAR CHAINS
• A PRACTICAL INDEX OF REACTIVITY FOR ALTERNANT SYSTEMS
• ESTIMATION OF BOUNDS OF ORBITAL ENERGIES IN THE HUECKEL MODEL

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