Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. The reliable and accurate prediction of chemical properties is a key goal in quantum ...
† School of Chemical Engineering, Purdue University, West Lafayette, Indiana 47907, United States § ‡ Department of Chemical & Biomolecular Engineering, and § Nuclear Science Laboratory, Department of ...
Figure 3: Binding of chloride, azide and nitrite to the SyrB2–Fe(II)–αKG complex monitored by perturbations to the absorption spectrum from the Fe(II)→αKG MLCT transition. NMR spectra were recorded on ...