Carbon Dioxide Molecular Orbitals : 無料・フリー素材/写真
Carbon Dioxide Molecular Orbitals / ChiralJon
| ライセンス | クリエイティブ・コモンズ 表示 2.1 |
|---|---|
| 説明 | A selection of CO2 (O=C=O) molecular orbitals (a.u.), including the HOMO-1 = -0.51; HOMO = -0.37; LUMO = 0.03. The degenerate HOMOs (highest occupied molecular orbital) are π bonding orbitals and the degenerate LUMOs (lowest unoccupied molecular orbital) are π antibonding orbitals (LUMO+1, not shown = 0.08; not degenerate). Firefly 8.2.0 DFT B3LYP 6-31G(d,p) geometry-optimized structure (no imaginary frequencies). The degenerate orbitals are perpendicular to each other. Total energy = -188.5809 a.u. Jmol visualization (via NBO 5.9 molecular orbital file). |
| 撮影日 | 2017-11-11 14:04:36 |
| 撮影者 | ChiralJon |
| タグ | |
| 撮影地 |