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Found 2 datasets matching "conformer".

Federal
Calculated conformer energies for organic molecules with multiple polar functionalities are method dependent: Taxol (case study)
- Organization: U.S. Department of Health & Human Services
- Updated: 2025-09-06
Background Molecular mechanics (MM) and quantum chemical (QM) calculations are widely applied and powerful tools for the stereochemical and conformational investigations of molecules....
- html
Search relevance: 53.42 | Views last month: 0
Federal
SQLite database with the results of quantum-chemical calculations for 20 cannabinoids and cannabinoid-related compounds
- Organization: National Institute of Standards and Technology
- Updated: 2024-09-16 00:00:00
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...
- none
- none
Search relevance: 34.90 | Views last month: 0

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Calculated conformer energies for organic molecules with multiple polar functionalities are method dependent: Taxol (case study)

SQLite database with the results of quantum-chemical calculations for 20 cannabinoids and cannabinoid-related compounds