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!
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!