Density Functional Studies on EPR Parameters and Spin-Density Distributions of Transition Metal Complexes

Density Functional Studies on EPR Parameters and Spin-Density Distributions of Transition Metal Complexes

In dieser Arbeit wurden EPR-Parameter und Spindichteverteilungen von Übergangsmetallkomplexen mit Hilfe der Dichtefunktionaltheorie (DFT) berechnet. Um das Potential der DFT bei der Beschreibung solcher Systeme zu zeigen, wurden mehrere Validierungsstudien durchgeführt, die in den Kapiteln 3-5 vorge...

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Bibliographic Details
Main Author:	Remenyi, Christian
Format:	Doctoral Thesis
Language:	English
Published:	2006
Subjects:	Dichtefunktionalformalismus Elektronenspinresonanz Spindichte Übergangsmetall ddc:540
Online Access:	https://opus.bibliothek.uni-wuerzburg.de/frontdoor/index/index/docId/1697 http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-19848 https://nbn-resolving.org/urn:nbn:de:bvb:20-opus-19848 https://opus.bibliothek.uni-wuerzburg.de/files/1697/Dissertation_Remenyi.pdf

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