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.
DFT predicted thermal parameters for series In.
| Compound | ZPE (Kcal/Mol) |
Thermal Energy (Kcal/Mol) | Enthalpy (Kcal/Mol) |
Gibbs Free Energy (Kcal/Mol) |
Entropy (Cal mol.k) |
|---|---|---|---|---|---|
| I6 | 311.781 | 331.655 | 332.247 | 268.439 | 214.013 |
| I8 | 347.608 | 369.186 | 369.779 | 301.645 | 228.522 |
| I10 | 383.435 | 406.717 | 407.310 | 334.847 | 243.042 |
| I12 | 419.262 | 444.249 | 444.842 | 368.056 | 257.542 |
