"Efficient Computation of Structural and Electronic Properties of Halide ..."

José Manuel Vicent-Luna, Sofia Apergi, Shuxia Tao (2021)

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DOI: 10.1021/ACS.JCIM.1C00432

access: closed

type: Journal Article

metadata version: 2021-12-15

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José Manuel Vicent-Luna, Sofia Apergi, Shuxia Tao:
Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding: GFN1-xTB Method. J. Chem. Inf. Model. 61(9): 4415-4424 (2021)

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