From: Tautomerization, acidity, basicity, and stability of cyanoform: a computational study
T = 260 K | T = 300 K | |||||
---|---|---|---|---|---|---|
H/au | G/au | S/Cal/Mol.K | H/au | G/au | S/Cal/Mol.K | |
1 | −317.2288 | −317.260935 | 77.565 | −317.22743 | −317.265745 | 80.639 |
2 | −317.22652 | −317.25843 | 77.013 | −317.22514 | −317.263208 | 80.121 |