Topological Model on the Inductive Effect in Alkyl Halides Using Local Quantum Similarity and Reactivity Descriptors in the Density Functional Theory

Table 6

Molecular binding relationships proposed in this study.

CH3–F versus	Overlap^a (𝜀O)	Coulomb^b (𝜀C)	ED-overlap^c (𝜀EDO)	ED-coulomb^d (𝜀EDC)
CH3–Cl	109.88	131.32	175.54	373.86
CH3–Br	103.18	129.98	195.64	447.56

aBonding relationship of overlap.
^bBonding relationship of coulomb.
^cEuclidean distances of overlap.
^dEuclidean distances of coulomb.