The lecture is part of a series on modeling within nanoscience, and the hosting site, nanohub.org, has many other interesting things.
Physics-based molecular fingerprints from spectral graph theory provide
efficient geometry-aware measures of chemical similarity
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Jacob W. Toney, Ayleen Y. Farnood, Samir Darouich and Heather J. Kulik
(2026)
Highlighted by Jan Jensen
This paper caught my attention for two reasons. F...
6 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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