Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Thermodynamic properties of styrene monomer.
| parameters/methods | B3LYP | ωB97XD |
|---|---|---|
| EE (×103 kcal mol−1) | −194.357 | −194.282 |
| ZPVE (kcal mol−1) | 83.326 | 84.167 |
| H (×103 kcal mol−1) | −194.269 | −194.193 |
| G (×103 kcal mol−1) | −194.293 | −194.218 |
| E Th (kcal mol−1) | 87.596 | 88.378 |
| Cv (cal mol−1 K) | 26.134 | 25.859 |
| S (cal mol−1 K) | 82.898 | 81.721 |
