What are some recent advancements in the application of TD-DFT for studying metal-transition complexes?
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Recent advancements in the application of TD-DFT for studying metal-transition complexes have been described in the literature. One study focused on the introduction of biologically relevant organic moieties in the coordination sphere of transition metal complexes to increase selectivity and biocompatibility of metallodrugs . Another study investigated the potential biomedical application of drug delivery using carbon nanotubes (CNTs) conjugated with bisphosphonate (BP)-divalent transition metal ions . Additionally, the study of nonlinear optical (NLO) properties of curcumin molecules in transition metal complexes was explored using DFT calculations . Furthermore, an improved version of the MAC index was proposed as a diagnostic tool for detecting and correcting unphysically predicted low lying excited states in transition metal complexes . These advancements contribute to a better understanding of the properties and behavior of metal-transition complexes using TD-DFT.
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| The paper discusses the use of a diagnostic tool called the MAC index to detect and correct unphysically predicted low-lying excited states in transition metal complexes studied using TD-DFT. | |
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| The provided paper does not mention any recent advancements in the application of TD-DFT for studying metal-transition complexes. |
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