Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Add new training reactions to Cyclic_Ether_Formation #480

Open
wants to merge 1 commit into
base: main
Choose a base branch
from

Conversation

xiaoruiDong
Copy link
Contributor

New training reactions from my calculation at CBS-QB3 level of theory with 1D separable hindered rotor approximation by me (@xiaoruiDong) were added.

All original and intermediate files are included in the following link https://www.dropbox.com/sh/f8810pu17mw2oug/AACfOcZ3JyuZMHplxtbXdtCJa?dl=0

Please let me know if extra information is needed to review this PR. Thanks!

Calculations were done at CBS-QB3 level of theory with 1D separable hindered rotor approximation by Xiaorui Dong.
@xiaoruiDong xiaoruiDong changed the base branch from master to main October 4, 2021 03:09
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant