Published April 21, 2025
| Version v1
Dataset
Open
Catalyst reorganization (entire system)
Description
Catalyst reorganization (entire system). Cartesian coordinated of TSs' geometries, vibrations corresponding to imaginary modes as well as IRC path.
Files
Files
(3.8 MB)
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md5:46bc7fb7ab7d2d5f56c38a43800e1ae5
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md5:13d0f0ea0e75a2a3072d44548274e040
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md5:cc096d225f8e0bdee008031476c10986
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md5:883a9181e9540a9c67aacde59537ce52
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md5:f38470ffa36db89dfb26ffd3dc7491d9
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md5:470871a4ec8b2a11e636443aa4fbdfa3
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md5:2eaeba1e6a82e98655c164bd9875b282
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md5:ff5adcff770daf38c12eef2e3db3767a
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181.8 kB | Download |
Additional details
Funding
- Development and application of sustainable methods of asymmetric synthesis PRG1031
- Ministry of Education and Research
- Research professor ETR22017
- Estonian Academy of Sciences
Dates
- Created
-
2025-04-21