Blar i NTNU Open på forfatter "Skoko, Sulejman"
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Simulating absorption spectra of flavonoids in aqueous solution: A polarizable QM/MM study
Skoko, Sulejman; Ambrosetti, Matteo; Giovannini, Tommaso; Cappelli, Chiara (Journal article; Peer reviewed, 2020)We present a detailed computational study of the UV/Vis spectra of four relevant flavonoids in aqueous solution, namely luteolin, kaempferol, quercetin, and myricetin. The absorption spectra are simulated by exploiting a ...