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Single crystal, Hirshfeld surface and theoretical analysis of methyl 4-hydroxybenzoate, a common cosmetic, drug and food preservative—Experiment versus theory

Fig 5

Calculated 3D of HOMOs-LUMOs plots and their energies (eV) of the compound by HF and DFT/B3LYP with 6-311G(d,p).

Fig 5

doi: https://doi.org/10.1371/journal.pone.0239200.g005