Theoretical studies of EPR parameters of spin-labels incomplex environments

This thesis encloses quantum chemical calculations performed in the framework of density functional response theory for evaluating electron paramagnetic resonance (EPR) spin Hamiltonian parameters of various spin-labels in different environments. These parameters are the well known electronic g-tens...

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Bibliographic Details
Main Author: Frecus, Bogdan
Format: Doctoral Thesis
Language:English
Published: KTH, Teoretisk kemi och biologi 2013
Subjects:
EPR
DFT
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-119515
http://nbn-resolving.de/urn:isbn:978-91-7501-681-8