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Plain Text - 1.4 KB - MD5: 8a89807c356783d82d9a5b8aea086643
README file of the dataset
ZIP Archive - 2.7 GB - MD5: 5e96b6862bd0d48447d10a58565fba14
Folder with gas-phase Turbomole calculations (part 1)
ZIP Archive - 164.0 MB - MD5: b6417bbc33edfcbc6c6e3c9fb3684f0f
Folder with gas-phase Turbomole calculations (part 2)
ZIP Archive - 252.8 MB - MD5: 21ccdacb9e52b80b14361322fd6eafd6
Folder with gas-phase Turbomole calculations (part 3)
ZIP Archive - 1.5 GB - MD5: 04936c9de8396cd79feaa01b08eb97c4
Folder with Turbomole calculations that includes COSMO files
ZIP Archive - 7.6 MB - MD5: 0a23775324b6ab5619a562abd63b15f5
Folder with gas-phase Gaussian calculations without CHK files
HTML - 1.7 KB - MD5: 3e1f17286ee4f328e7216de4d234746b
2026. aasta migratsiooni käigus varasemast DataDOI süsteemist üle kantud kasutusstatistika kajastab tegevust eelmises DSpace-põhises süsteemis ega näita Dataverse’i uusi kasutusandmeid. Usage statistics carried over from the previous DataDOI system as part of the 2026 migration reflect activity in the former DSpace-based system and do not represent...
Plain Text - 1.8 KB - MD5: 2b17e6a94667467183eb5042855b4300
README file
Adobe PDF - 1.4 MB - MD5: 791dc5bf4e98096c2c5343d2a7e88af3
List of all folders and filenames for each calculation
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