From: A conceptual DFT study of the molecular properties of glycating carbonyl compounds
 | J I | J A | J HL | \(J_{\chi }\) | \(J_{\eta }\) | \(J_{\omega }\) | \(J_{D1}\) | \(J_{\omega ^{-}}\) | \(J_{\omega ^{+}}\) | \(J_{\Delta \omega ^{\pm }}\) | \(J_{D2}\) |
---|---|---|---|---|---|---|---|---|---|---|---|
M11 | 2.72 | 2.83 | 3.93 | 0.08 | 5.55 | 1.01 | 5.66 | 1.70 | 1.65 | 3.35 | 4.11 |
M11L | 0.46 | 0.30 | 0.56 | 0.08 | 0.77 | 0.31 | 0.86 | 0.53 | 0.61 | 1.14 | 1.40 |
MN12L | 0.37 | 0.26 | 0.46 | 0.06 | 0.63 | 0.22 | 0.69 | 0.37 | 0.43 | 0.80 | 0.98 |
MN12SX | 0.17 | 0.18 | 0.26 | 0.04 | 0.35 | 0.11 | 0.37 | 0.19 | 0.19 | 0.38 | 0.47 |
N12 | 0.65 | 0.67 | 0.94 | 0.08 | 1.32 | 0.72 | 1.56 | 1.35 | 1.34 | 2.70 | 3.31 |
N12SX | 0.05 | 0.14 | 0.15 | 0.05 | 0.17 | 0.09 | 0.21 | 0.19 | 0.14 | 0.33 | 0.41 |
SOGGA11 | 0.72 | 1.12 | 1.40 | 0.31 | 1.84 | 1.00 | 2.22 | 1.98 | 1.79 | 3.77 | 4.63 |
SOGGA11X | 1.24 | 1.21 | 1.73 | 0.05 | 2.45 | 0.58 | 2.53 | 1.00 | 1.01 | 2.01 | 2.46 |