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Baltrusaitis, Jonas, Courtney Hatch, and Roberto. Orlando. "Periodic DFT Study of Acidic Trace Atmospheric Gas Molecule Adsorption on Ca- and Fe-Doped MgO(001) Surface Basic Sites." Journal of Physical Chemistry A 116, no. 30 (2012): 7950-7958.

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Baltrusaitis, Jonas, Courtney Hatch, and Roberto. Orlando. "Electronic Properties and Reactivity of Simulated Fe3+ and Cr3+ Substituted α-Al2O3 (0001) Surface." Journal of Physical Chemistry C 116, no. 35 (2012): 18847-18856.