https://tgfbeta-receptor.com/i....ndex.php/a-planned-o
The M06 and B3LYP functionals suggest that the additional electron in [Ru(bpy)3]+ is delocalized over the three bpy ligands, although the long-range corrected LC-BLYP while the CAM-B3LYP functionals reveal it to be more localized on just one bpy ligand. Although these second quantities of concept fail to reproduce the experimentally observed IR frequencies, it's possible to argue that the abnormally large bandwidths seen in the range are caused by the fluxional personality of a c
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