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

    Metadata Updated: March 14, 2025

    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.

    Access & Use Information

    Public: This dataset is intended for public access and use. License: See this page for license information.

    Downloads & Resources

    Dates

    Metadata Created Date March 14, 2025
    Metadata Updated Date March 14, 2025

    Metadata Source

    Harvested from NIST

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date March 14, 2025
    Metadata Updated Date March 14, 2025
    Publisher National Institute of Standards and Technology
    Maintainer
    Identifier ark:/88434/mds2-3559
    Data First Published 2024-09-19
    Language en
    Data Last Modified 2024-09-16 00:00:00
    Category Chemistry:Thermochemical properties, Chemistry:Chemical thermodynamics and chemical properties, Chemistry:Theoretical chemistry and modeling
    Public Access Level public
    Bureau Code 006:55
    Metadata Context https://project-open-data.cio.gov/v1.1/schema/data.json
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Catalog Describedby https://project-open-data.cio.gov/v1.1/schema/catalog.json
    Harvest Object Id 1609863a-6cf7-4d9c-a62d-4b8acf67041d
    Harvest Source Id 74e175d9-66b3-4323-ac98-e2a90eeb93c0
    Harvest Source Title NIST
    License https://www.nist.gov/open/license
    Program Code 006:045
    Source Datajson Identifier True
    Source Hash b10db8fed6a8eeb8875a45120766d88a056e68d66b2d6fda62c053986bfff73d
    Source Schema Version 1.1

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