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. 2022 Jul 27;6(8):2009–2023. doi: 10.1021/acsearthspacechem.2c00084

Table 4. Zero-Point Energy Corrected Adsorption Energies for the Adsorption of PAHs on VMgO-[010]-fo through a Perpendicular (Eads⊥) and Parallel (Eads) Adsorption.

  Eads⊥ (eV) Eads= (eV)
naphthalene –3.73 –2.44
anthracene –3.51 –2.97
fluoranthene –3.84 –2.33
pyrene –4.18 –1.49
coronene –4.19 –2.43
benzocoronene –5.48 –2.83