Martin, D.; Sild, S.; Maran, U.; Karelson, M. QSPR Modeling of the Polarizability of Polyaromatic Hydrocarbons and Fullerenes. J. Phys. Chem. C 2008, 112, 13, 4785–4790.
Compound
| ID: | C60Ih | |
|---|---|---|
| Name: | Fullerene C60 (Ih) | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 99685-96-8 | |
| InChi Code: |
Properties
p_abinitio: Ab initio calculated polarizability [Å^3]
| Value | Source or prediction |
|---|---|
| 73.8 |
experimental value |
| 82.9 |
Eq2: Main model (Validation set) |
| 81.1 |
Model_nA: Additional model with descriptor - number of atoms (Validation set) |
| 83.4 |
Model_nC: Additional model with descriptor - number of carbon atoms (Validation set) |