Research Article
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.
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Point group D5h. 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 C2v. |