BiologicalMolecules I (eV) AE (eV) X (eV) h(eV) ω (eV) ω-  (eV)
Ala 9.27 -2.76 3.26 6.02 0.88 3.26
Asp 9.14 -1.96 7.71 5.55 1.16 3.65
Cys 8.71 -2.11 3.30 5.41 1.01 3.33
His 8.18 -2.14 3.02 5.16 0.88 3.04
Phe 8.18 -1.70 3.24 4.94 1.06 3.30
Adenosine 8.06 -0.95 3.56 4.51 1.41 3.75
Cytosine 7.98 -1.04 3.47 4.51 1.34 3.64
D-Glucose 9.02 -2.86 3.08 5.94 0.80 3.08
Saccharose 8.51 -2.16 3.17 5.34 0.94 3.20
AcidPalmitic 8.87 -2.57 3.15 5.72 0.87 3.16
AcidPalmitoleic 8.19 -2.07 3.06 5.13 0.91 3.08
Table 2: Reactivity parameters of biological molecules calculated with B3LYP/6-31G(d).