A New Interpretation on Frontier Theory : dedicated to the late Kenich FUKUI

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概要

• 論文の詳細を見る

• We have demonstrated that the propagator theory (green function) is one of the most interesting tools to examine the concept in chemistry^<1-4>. In this paper, a new method is proposed to define π-valence of atoms in a molecule. This method is based on the propagator theory and gives useful information about chemical reaction. The frontier theory says that chemical reaction occurs at the site (atom) that has the largest coefficient in the frontier orbital (HOMO or LUMO)^<5-6>. We define "frontier valence" to put a new interpretation on the frontier theory. It can be shown that the chemical reaction occurs at the site that has the largest frontier valence.

• 高山自動車短期大学の論文
• 2000-01-31

著者

• 桜井 克典

  理論化学

関連論文

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• A New Definition of Local Aromaticity
• A New Interpretation on Frontier Theory : dedicated to the late Kenich FUKUI
• A New Method to Draw Partial Structures in a Molecule
• A New Definition of Chemical Structure for Conjugated Systems

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