Description
This folder contains GFN2-xTB optimized geometries (in .xyz format) in triplet state for the paper "xxx", using crude optimization settings and the implicit ALPB solvation model. The file naming is consistent with that in the supporting information.
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Metrics Over Time
Publication Details
Subfield
Mechanics of Materials
Field
Engineering
Domain
Physical Sciences
Confidence Score
42%
Source
Scholar Data Model