Tautomers | (Kcal/mol) | (Kcal/mol) | |
AH | Deprotonated molecule A− | ||
Q-4-one (N1-H) | −299422.21 | −299091.11 | 324.81 |
Q-4-one (O11-H) | −299415.34 | −299091.11 | 317.94 |
DMQ (N1-H) | −443145.23 | −442806.26 | 332.68 |
DMQ (O11-H) | −443144.01 | −442806.26 | 331.46 |
DBrQ (N1-H) | −3529228.80 | −3528905.10 | 317.41 |
DBrQ (O11-H) | −3529224.55 | −3528905.11 | 313.15 |