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Utilizing and experimental and computational approach to ligand design for chelating oxorhenium(V) and oxotechnetium(V)
(University of Missouri--Columbia, 2014)
Drugs that contain radioactive atoms for either imaging or therapy are considered radiopharmaceuticals. Targeted radiotherapy, delivering the radiopharmaceutical via intra venous injection to localize in a specific (cancerous) ...
Computational studies of zinc-seamed pyrogallol[4]arene nanocapsules and model systems
(University of Missouri--Columbia, 2014)
Sixteen valence-electron species containing boron: structural diversity abounds
(University of Missouri--Columbia, 2005)
[B, C, F, H₂] and [B, N, O, H₂] have been investigated via high level ab initio calculations. Both cyclic and acyclic connectivities have been examined for the singlet state. Chemical intuition suggests a ketene-like ...
Computational studies of three chemical systems
(University of Missouri--Columbia, 2011)
The subject of this dissertation is the use of electronic structure calculations to examine and supplement the experimental observations of three different chemical systems. Both ab initio and DFT methods have been employed. ...