scholarly journals Structural and Electronic Analysis of Lanthanide Complexes:  Reactivity May Not Necessarily Be Independent of the Identity of the Lanthanide Atom − A DFT Study

2006 ◽  
Vol 110 (39) ◽  
pp. 11324-11331 ◽  
Author(s):  
Sandra Schinzel ◽  
Martin Bindl ◽  
Marc Visseaux ◽  
Henry Chermette
Keyword(s):  
Lanthanide Complexes ◽  
Dft Study ◽  
Lanthanide Atom

scholarly journals A combined NMR and DFT study of conformational dynamics in lanthanide complexes of macrocyclic DOTA-like ligands

2017 ◽  
Vol 19 (39) ◽  
pp. 26662-26671 ◽  
Author(s):  
Jan Blahut ◽  
Petr Hermann ◽  
Zdeněk Tošner ◽  
Carlos Platas-Iglesias
Keyword(s):  
Lanthanide Complexes ◽  
Molecular Level ◽  
Conformational Dynamics ◽  
Dft Study ◽  
Nmr Study

A NMR study of the conformational dynamics of paramagnetic Eu3+ complexes provides parameters for isomer interconversion with unprecedented accuracy, while DFT reveals mechanistic details at the molecular level.

The formation stability, hydrolytic behavior, mass spectrometry, DFT study, and luminescence properties of trivalent lanthanide complexes of H2ODO2A

2012 ◽  
Vol 41 (48) ◽  
pp. 14697 ◽  
Author(s):  
C. Allen Chang ◽  
I-Fan Wang ◽  
Hwa-Yu Lee ◽  
Ching-Ning Meng ◽  
Kuan-Yu Liu ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Lanthanide Complexes ◽  
Dft Study ◽  
Luminescence Properties ◽  
Trivalent Lanthanide

DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

2009 ◽  
Author(s):  
Manuel Fernández-Gómez ◽  
Amparo Navarro ◽  
MªPaz Fernández-Liencres ◽  
Mónica Moral ◽  
José Manuel Granadino-Roldán ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Dft Study
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