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On the heat of formation of ye'elimite Ca4Al6O12.SO4 using density functional theory

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The heat of formation of ye'elimite Ca4Al6O12.SO4 was calculated using density functional theory (DFT). The crystallographic ground state of ye'elimite is the orthorhombic Pcc2 modification in agre... Click to show full abstract

The heat of formation of ye'elimite Ca4Al6O12.SO4 was calculated using density functional theory (DFT). The crystallographic ground state of ye'elimite is the orthorhombic Pcc2 modification in agre...

Keywords: elimite ca4al6o12; density functional; heat formation; ca4al6o12 so4; formation elimite; using density

Journal Title: Advances in Cement Research
Year Published: 2019

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