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Found 1 dataset matching "ab initio computations".

Federal
Ideal-Gas Thermodynamic Properties for Organic Compounds Containing Up to 7 C, O, or N Atoms
- Organization: National Institute of Standards and Technology
- Updated: 2022-02-25 00:00:00
This data set contains enthalpies of formation, entropies, heat capacities, and thermal enthalpies for about 400 compounds available in the NIST TRC SOURCE database. The enthalpies of formation...
- csv
- none
Search relevance: 91.58 | Views last month: 9

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Ideal-Gas Thermodynamic Properties for Organic Compounds Containing Up to 7 C, O, or N Atoms