Density-functional theory structures of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid complexes for ions across the lanthanide series

The use of organically chelated lanthanides in diagnosis and treatment is a rapidly growing field in medicine. In order to gain a deeper understanding into the properties of these chelates, particularly spectroscopic, density-functional calculations have been performed on a series of lanthanide ions...

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Veröffentlicht in:	The Journal of chemical physics 2005-12, Vol.123 (24), p.244302-244302-9
Hauptverfasser:	Smentek, Lidia, Andes Hess, B., Cross, Jason P., Charles Manning, H., Bornhop, Darryl J.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chelating Agents - pharmacology Electronics Heterocyclic Compounds, 1-Ring - chemistry Hydrogen Bonding Ions Lanthanoid Series Elements Ligands Molecular Conformation Nitrogen - chemistry Oxygen - chemistry Software Spectrophotometry Thermodynamics Water - chemistry
Online-Zugang:	Volltext
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