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Academic Journal

The thermodynamic scale of inorganic crystalline metastability.

Authors : Sun, Wenhao; Dacek, Stephen T; Ong, Shyue Ping

Subjects: DFT; High-throughput Computation; Inorganic Chemistry

Source: Science advances. 2(11)

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Academic Journal

The thermodynamic scale of inorganic crystalline metastability

Authors : Anubhav Jain; Shyue Ping Ong; Anthony Gamst ...

Subjects: ab initio thermodynamics; 02 engineering and technology; DFT

Source: Sci AdvScience Advances, vol 2, iss 11AAAS

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Academic Journal

Predictions of Physicochemical Properties of Ionic Liquids with DFT

Authors : Karl Karu; Anton Ruzanov; Heigo Ers

Subjects: DFT; ionic liquids; high-throughput computation

Source: Computation; Volume 4; Issue 3; Pages: 25

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