BiophysicsJournal of Computational ChemistryPeer-reviewed
Extensive Benchmark Study of the Resonance Raman Spectra of Lumiflavin
Prokopis C. Andrikopoulos, Heba Halimeh
This study benchmarks 42 DFT functionals for resonance Raman spectra of lumiflavin, finding six functionals with superior agreement with experimental data.
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