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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

Table 4

Quantum chemical parameters for methyl 4-hydroxybenzoate calculated at the HF and DFT levels.

Table 4

doi: https://doi.org/10.1371/journal.pone.0239200.t004