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Table 3 Condensed local hypersoftness (LHS) over the carbonyl C atoms of the acetaldehyde, acetol, acetone, arabinose, glucose, d-glyceraldehyde, glyoxal, glycolaldehyde, l-glyceraldehyde, methylglyoxal and ribose molecules calculated with the M06 and MN12SX density functionals and the Def2TZVP basis set using water as as solvent simulated with the SMD parametrization of the IEF-PCM model

From: A conceptual DFT study of the molecular properties of glycating carbonyl compounds

  MN12SX N12SX
Acetaldehyde 13.17 14.43
Acetol 11.04 12.82
Acetone 10.24 12.06
Arabinose 15.25 15.94
Glucose 17.82 19.80
d-Glyceraldehyde 13.79 14.73
Glycolaldehyde 12.61 14.07
Glyoxal 19.90 23.28
l-Glyceraldehyde 13.79 14.73
Methylglyoxal 20.20 22.06
Ribose 17.73 18.16