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: | C78C2v | |
|---|---|---|
| Name: | Fullerene C78 (C2v) | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: |
Properties
p_abinitio: Ab initio calculated polarizability [Å^3]
| Value | Source or prediction |
|---|---|
| 102.9 |
experimental value |
| 107.6 |
Eq2: Main model (Training set) |
| 108.7 |
Model_nA: Additional model with descriptor - number of atoms (Training set) |
| 107.2 |
Model_nC: Additional model with descriptor - number of carbon atoms (Training set) |