48 compounds | Property p_abinitio: Ab initio calculated polarizability [Å^3]
ID | Name | p_abinitio | Details |
---|---|---|---|
ANP | acenaphthene | 18.7 | View |
BATR | benzanthracene | 32.3 | View |
23BF | 2,3-benzofluorene | 29.2 | View |
BP | benzo[a]pyrene | 36.2 | View |
BGP | benzo(ghi)perylene | 37.7 | View |
CH | chrysene | 31.3 | View |
CO | coronene | 41.4 | View |
DBA | dibenz[a,h]anthracene | 41.1 | View |
FA | fluoranthene | 26.4 | View |
FL | fluorene | 20.5 | View |
NPTHC | naphthacene | 34.6 | View |
TPHNL | triphenylene | 29.8 | View |
C20Ih | Fullerene C20 (Ih) | 24.6 | View |
C28Td | Fullerene C28 (Td) | 35.2 | View |
C32D3 | Fullerene C32 (D3) | 39.8 | View |
C36C1 | Fullerene C36 (C1) | 46.1 | View |
C36C2v | Fullerene C36 (C2v) | 45.3 | View |
C36Cs | Fullerene C36 (Cs) | 46.2 | View |
C36D2 | Fullerene C36 (D2) | 48.2 | View |
C36D6h | Fullerene C36 (D6h) | 47.9 | View |
C40D2 | Fullerene C40 (D2) | 56.2 | View |
C44D2 | Fullerene C44 (D2) | 62 | View |
C44C1 | Fullerene C44 (C1) | 59.4 | View |
C44C2v | Fullerene C44 (C2v) | 58.7 | View |
C44Cs | Fullerene C44 (Cs) | 58.7 | View |
C44D3h | Fullerene C44 (D3h) | 59.9 | View |
C50D3 | Fullerene C50 (D3) | 71.3 | View |
C72D6h | Fullerene C72 (D6h) | 92.8 | View |
C74D3h | Fullerene C74 (D3h) | 105.1 | View |
C76Td | Fullerene C76 (Td) | 108.6 | View |
C78C2v | Fullerene C78 (C2v) | 102.9 | View |
C80C2v1 | Fullerene C80 (C2v1) | 117.2 | View |
C80C2v | Fullerene C80 (C2v) | 110.9 | View |
C80D2 | Fullerene C80 (D2) | 106.4 | View |
C80D3 | Fullerene C80 (D3) | 114.4 | View |
C80D5d | Fullerene C80 (D5d) | 105.7 | View |
C80D5h | Fullerene C80 (D5h) | 119.1 | View |
C80Ih | Fullerene C80 (Ih) | 119.5 | View |
C82C2 | Fullerene C82 (C2) | 109.3 | View |
C84Td | Fullerene C84 (Td) | 110.6 | View |
ATR | anthracene | 24.3 | View |
BPH | biphenyl | 19 | View |
NPTH | naphthalene | 15.6 | View |
PRL | perylene | 34.9 | View |
PHN | phenanthrene | 23 | View |
PY | pyrene | 26.7 | View |
C60Ih | Fullerene C60 (Ih) | 73.8 | View |
C70D5h | Fullerene C70 (D5h) | 91.8 | View |
Martin, D.; Sild, S.; Maran, U.; Karelson, M. QSPR Modeling of the Polarizability of Polyaromatic Hydrocarbons and Fullerenes. The Journal of Physical Chemistry C 2008, 112, 4785–4790. https://doi.org/10.1021/jp7100368