Quantum-Mechanical Modeling of Intercalation
Recently the DNA fluorescent probe, Thiazole Orange (TO) has been effectively modeled, using the Density Functional Theory (DFT) with the M06-2X functional coupled with the Polarisable Continuum model (PCM). This quantum-mechanical modeling has effectively rationalized the fluorescence behavior given by the light-switch intercalating probe.
Read more about this topic: Intercalation (chemistry)
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