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    • Predicted phototoxicities of carbon nano-material by quantum mechanical calculations

    Metadata Updated: November 12, 2020

    The data involves a prediction of phototoxicities of nano-materials. The prediction is based on the calculated triplet excited states of fullerenols and single-walled carbon nanotubes. The model used is one previously published using actual phototoxicities of polynuclear aromatic hydrocarbons and their calculated triplet excited states.

    This dataset is associated with the following publication: Betowski, D. Predicted phototoxicities of carbon nano-material by quantum mechanical calculations. Journal of Molecular Graphics and Modelling. Elsevier B.V., Amsterdam, NETHERLANDS, 75: 102-105, (2017).

    Access & Use Information

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

    Downloads & Resources

    References

    https://doi.org/10.1016/j.jmgm.2017.03.017

    Dates

    Metadata Created Date November 12, 2020
    Metadata Updated Date November 12, 2020

    Metadata Source

    Harvested from EPA ScienceHub

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date November 12, 2020
    Metadata Updated Date November 12, 2020
    Publisher U.S. EPA Office of Research and Development (ORD)
    Maintainer
    Identifier A-m90n-180
    Data Last Modified 2016-08-09
    Public Access Level public
    Bureau Code 020:00
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Harvest Object Id d93b5861-9e10-4659-a253-6cb79d804c05
    Harvest Source Id 04b59eaf-ae53-4066-93db-80f2ed0df446
    Harvest Source Title EPA ScienceHub
    License https://pasteur.epa.gov/license/sciencehub-license.html
    Program Code 020:000
    Publisher Hierarchy U.S. Government > U.S. Environmental Protection Agency > U.S. EPA Office of Research and Development (ORD)
    Related Documents https://doi.org/10.1016/j.jmgm.2017.03.017
    Source Datajson Identifier True
    Source Hash 9a36e3209ef8dada046df394f25233dc233cbe22
    Source Schema Version 1.1

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