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- W4285291277 abstract "Density functional tight binding (DFTB) and DFTB-based molecular dynamics (DFTB-MD) were used to study the effects of vacancy defects on the structure, stability, and initial decomposition mechanisms of condensed phase..." @default.
- W4285291277 created "2022-07-14" @default.
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- W4285291277 date "2022-01-01" @default.
- W4285291277 modified "2023-09-30" @default.
- W4285291277 title "Structural stability and initial decomposition mechanisms of BTF crystal induced by vacancy defects: a computational study" @default.
- W4285291277 doi "https://doi.org/10.1039/d2ce00503d" @default.
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