Published April 29, 2022
| Version v1
Dataset
Open
[Mo2O2S4]- minima with AutoMeKin
Description
Minima of the [Mo2O2S4]- system calculated with AutoMeKin:
Low-level: PM7
High-level: b3lyp-d3/def2tzvp
Files
DFT.zip
Files
(9.6 MB)
| Name | Size | Download all |
|---|---|---|
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md5:b683bfcd42e3021166259d67a514bb43
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4.5 MB | Preview Download |
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md5:c0bb2a716585fdbc2e0fdfb09025407d
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5.1 MB | Preview Download |