Data provided by National Institute of Standards and Technology
The data set contains the data for 20 cannabinoids and cannabinoid-related compounds computed with quantum-chemical methods. This includes the optimized geometries for the conformers and the corresponding rotational constants, vibrational frequencies, and electronic energies.
About this Dataset
Updated: 2026-09-19
Metadata Last Updated:
2024-09-16 00:00:00
Date Created:
N/A
Data Provided by:
Dataset Owner:
N/A
| Title | SQLite database with the results of quantum-chemical calculations for 20 cannabinoids and cannabinoid-related compounds |
|---|---|
| Description | The data set contains the data for 20 cannabinoids and cannabinoid-related compounds computed with quantum-chemical methods. This includes the optimized geometries for the conformers and the corresponding rotational constants, vibrational frequencies, and electronic energies. |
| Modified | 2024-09-16 00:00:00 |
| Publisher Name | National Institute of Standards and Technology |
| Contact | mailto:[email protected] |
| Keywords | DFT , ab initio , CCSD(T) , conformer , cannabinoids |
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