Electronic fine structure calculation of [Gd(DOTA)(H 2O)] - using LF-DFT: The zero field splitting

Comptes Rendus Chimie

Volumn 15, Issue 2-3, 2012, Pages 250-254

  Senn, Florian ^a   Helm, Lothar ^b   Borel, Alain ^c   Daul, Claude A ^a  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

^b INSTITUTE OF CHEMICAL SCIENCES AND ENGINEERING   (Switzerland)

^c EPFL   (Switzerland)

Author keywords

Ligand field density functional theory (LF DFT); MRI contrast agent; Zero field splitting (ZFS)

Indexed keywords

EID: 84855972609     PISSN: 16310748     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.crci.2011.10.008     Document Type: Article

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