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.
Rapid Generation of Transition-State Conformer Ensembles via Constrained
Distance Geometry
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Stefan P. Schmid, Henrik Seng, Thibault Kläy, and Kjell Jorner (2026)
Highlighted by Jan Jensen
Here's another example of a tool that has made research li...
2 days ago
1 comment:
thanks a lot for the hint!
Marcelo (UFMT)
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