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

Published by National Institute of Standards and Technology | National Institute of Standards and Technology | Metadata Last Checked: June 27, 2025 | Last Modified: 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 corresponding rotational constants, vibrational frequencies, and electronic energies.

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Complete Metadata

bureauCode	[ "006:55" ]
identifier	ark:/88434/mds2-3559
issued	2024-09-19
language	[ "en" ]
programCode	[ "006:045" ]
theme	[ "Chemistry:Chemical thermodynamics and chemical properties", "Chemistry:Theoretical chemistry and modeling", "Chemistry:Thermochemical properties" ]