Molybdenum Disulfide/Graphene Bilayer Heterojunction Under Strain
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下载链接：
https://data.mendeley.com/datasets/dxgvy7mzrn
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资源简介：
CRYSTAL17 data for dry and hydrated pristine and defect MoS2/graphene (optimal geometries and electronic structure). Input and output files.
Gamess files using the unit cell of the optimized geometries from CRYSTAL17.
QTAIM and NCI files output using Multiwfn.
创建时间：
2022-02-17
