While looking for something completely different, I came across this online presentation by Martin Head-Gordon on computational quantum chemistry. The link is here and you click on View Presentation on the right.
The lecture is part of a series on modeling within nanoscience, and the hosting site, nanohub.org, has many other interesting things.
Designing Target-specific Data Sets for Regioselectivity Predictions on
Complex Substrates
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Jules Schleinitz, Alba Carretero-Cerdán, Anjali Gurajapu, Yonatan
Harnik, Gina Lee, Amitesh Pandey, Anat Milo, and Sarah Reisman (2025)
Highlighte...
51 minutes 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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