Locating and Multiplicative Locating Indices of Graphs with QSPR Analysis

Figure 3

The chemical structures, optimized geometries, the distributions, and energies of the highest occupied molecular orbitals (HOMOs) and the lowest unoccupied molecular orbitals (LUMOs) and also the total densities mapped with electrostatic potentials (ESPMs) at isovalue = 0.2 a.u. of (a) hexane, (b) 2-methylpentane, (c) 3-methylpentane, (d) 2,2-dimethylbutane, and (e) 2,3-dimethylbutane.