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Density functional theory modeling of critical properties of perovskite oxides for water splitting applications

- Ghose, Krishna K., Brown, Joshua J., Frankcombe, Terry J., Page, Alister, Bayon, Alicia

First-principles thermochemical properties of hexagonal and cubic phase BaMnO3

- Ghose, Krishna K., Bayon, Alicia, Page, Alister J.

Electronic structure and high-temperature thermochemistry of oxygen-deficient BaMO3 (M = Ti - Cu) perovskites

- Ghose, Krishna K., Bayon, Alicia, Page, Alister J.

Electronic structure and high-temperature thermochemistry of BaZrO₃₋δ perovskite from first-principles calculations

- Ghose, Krishna K., Bayon, Alicia, Hinkley, Jim, Page, Alister J.

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