Theoretical Calculations and Modeling for the Molecular Polarization of Furan and Thiophene under the Action of an Electric Field Using Quantum Similarity

Table 1

Local similarity indexes (numerical and analytical methods) and Euclidean distances, using global densities for thiophene, furan versus cyclopentadienyl.

Cyclopentadienyl^a	𝑍CP (O)^b	𝑍CP (C)^c	LSI (O)^d	LSI (C)^e	𝐷CP (O)^f	𝐷CP (C)^g
Versus thiophene^h	2.994	196.350	0.972	0.997	0.410	0.966
Versus furan^h	3.441	211.863	0.912	0.991	0.871	2.009

aPoint group D_5h.
^bInteraction of overlap—numerical method.
^cInteraction of coulomb—numerical method.
^dLocal similarity index of overlap (see Appendix C).
^eLocal similarity index of coulomb (see Appendix C).
^fEuclidean distance of overlap.
^gEuclidean distance of coulomb.
^hPoint group C_2v.