John Perdew and Adrienn Ruzsinszky have published a fantastically readable summary of density functional theory in International Journal of Quantum Chemistry, who, very commendably, has made it freely available.
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...
1 day ago
1 comment:
thanks a lot for the hint!
Marcelo (UFMT)
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