Amazing movie of dancing orbitals (aka charge transfer dynamics) from Felix over at Chemical Quantum Images.
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Fundamental Study of Density Functional Theory Applied to Triplet State
Reactivity: Introduction of the TRIP50 Dataset
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William B. Hughes, Mihai V. Popescu, Robert S. Paton (2025)
Highlighted by Jan Jensen
While this paper presents an interesting and useful benchmark and d...
1 week ago
1 comment:
hi, thanks. glad you like it.
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