The lecture is part of a series on modeling within nanoscience, and the hosting site, nanohub.org, has many other interesting things.
Posts
Short B-H…H-O Interactions in crystal structures – a short DFT Exploration
using B3LYP+D4 and r2scan-3c
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In the previous post, I was commenting that the transition state for
borohydride reduction of a ketone contained some close contacts between the
hydrogen...
2 days ago
2 comments:
hi,
congratulations on your blog.
i'm a chemist researcher too.
If you could, make an example about intrinsic reaction coordinate in gamess.
thank you,
Lucas
Thank you!
Good idea. I'll see what I can do.
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