Published June 5, 2026
| Version v1
Dataset
Open
Dataset for Manuscript "Enantioselectivity in Chiral Rotaxanes Arises from the Interplay of Conformation, Interaction Energy, and Ensemble Structure"
Authors/Creators
-
1.
Universidade Federal de Santa Catarina
- 2. Universidade Federal de Santa Catarina Departamento de Química
Description
This repository constains coordinates, scripts and raw data, as well as selected input/output and trajectory files produced for the Manuscript "Enantioselectivity in Chiral Rotaxanes Arises from the Interplay of Conformation, Interaction Energy, and Ensemble Structure"
Files
README.txt
Files
(12.1 GB)
| Name | Size | |
|---|---|---|
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md5:06cf1cd27cb04ee59d40c8a1071cbdb1
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1.9 GB | Download |
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md5:947d744db01fb0d42a38b627fb631e8e
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2.3 MB | Download |
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md5:1ddc4ff0e6b3ba0d901dba1f85df3ad4
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15.9 MB | Download |
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md5:3d19da94b7d7207edd1949c4c246eed9
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708.1 MB | Download |
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md5:c99b6eb04f6c8719c6e95a95a7c44248
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50.9 MB | Download |
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md5:10ef4f5f1517b084489ac5ecdc5d70cd
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206 Bytes | Preview Download |
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md5:3106a52cee0afe36032893045a1c395f
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9.4 GB | Download |
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md5:010fd525c7abd7d858cc546b2062b5e6
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10.3 MB | Download |