情報化学討論会・構造活性相関シンポジウム講演要旨集
第24回情報化学討論会
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4次元の混成原子軌道の可視化
*木戸 冬子細矢 治夫時田 澄男
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p. JP09

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Three-dimensional hybridized atomic orbital wave functions with one s-orbital and three p-orbitals on rectangular coordinate were visualized using isosurface technique of a software called AVS (Application Visualization System). Three-dimensional hybridized atomic orbital visualization results showed normalized orthogonality. Four-dimensional hybridized atomic orbital wave functions with one s-orbital and four p-orbitals were given by normalized orthogonality method. Four-dimensional hybridized atomic orbital wave functions were visualized using projection on three-dimensional space. We obtained the general expressions for D-dimensional hybridized atomic orbital wave functions with one s-orbital and D p-orbitals.

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