Skip to content

Molecules of N-N, azetidine, and octahydrotetracene-like compounds #19

@howlfwq

Description

@howlfwq

Hi,
I have read the preprint article. At the end of the paper, it shows three kinds of chemical structures that have outlying energies or geometries, i.e. N-N single bond (3824 structures), azetidine ring (543 structures), and octahydrotetracene (50 structures). I'm wondering if you can provide me those structures with coordnates and connectivity. I'd like to see the improvements of our force filed on these molecules. Thank you!

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions