• 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....

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• 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...

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• Organization: National Institute of Standards and Technology
• Updated: 2016-03-11 00:00:00

Datasets in digital electronic formats are provided for data contained in the publication "Recommended Values for the Gas Phase Enthalpies of Formation of Hydrogen-Oxygen Species;" J. Res. Natl....

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• Organization: U.S. Environmental Protection Agency
• Updated: 2016-08-25

We show in the present study that the unsaturated aldehydes, 2-E-pentenal, 2-E-hexenal and 3-Z-hexenal, are biogenic volatile organic compound (BVOC) precursors for polar organosulfates with...

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