-
Notifications
You must be signed in to change notification settings - Fork 229
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Don't add radicals or lone pairs to surface sites.
This may hide bugs, or it may be exactly the right thing to do. I'm not entirely sure. But it currently seems like a good idea. The presumption is: surface sites of metals should not have unpaired or pairs of electrons - they just have a big sea of delocalized electrons at their disposal. See #1820
- Loading branch information
Showing
2 changed files
with
12 additions
and
2 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters