The Smiling Water Molecule : 無料・フリー素材/写真
The Smiling Water Molecule / ChiralJon
| ライセンス | クリエイティブ・コモンズ 表示 2.1 |
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| 説明 | The water highest occupied molecular orbital (HOMO) and electrostatic surface map. Firefly 8.2.0 DFT B3LYP 6-311G(d,p) geometry optimized structure (C2v point group, no imaginary frequencies). Total energy = -76.4483 a.u. The HOMO (E = -0.30 a.u.) is predominantly p orbital character (giving one of oxygen's lone pair of electrons their well-known nucleophilic properties). Jmol visualization (via NBO 5.9 molecular orbital file). There are other images available where the molecule has been rotated. |
| 撮影日 | 2018-09-18 06:31:35 |
| 撮影者 | ChiralJon |
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