Origin of the Zero-Field Splitting in Mononuclear Octahedral Dihalide MnIIComplexes:  An Investigation by Multifrequency High-Field Electron Paramagnetic Resonance and Density Functional Theory

2007 ◽  
Vol 46 (12) ◽  
pp. 4905-4916 ◽  
Author(s):  
Carole Duboc ◽  
Thida Phoeung ◽  
Samir Zein ◽  
Jacques Pécaut ◽  
Marie-Noëlle Collomb ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electron Paramagnetic Resonance ◽  
High Field ◽  
Density Functional ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Paramagnetic Resonance ◽  
Functional Theory ◽  
Field Splitting ◽  
Electron Paramagnetic

Redox Levels of a closo-Osmaborane: A Density Functional Theory, Electron Paramagnetic Resonance and Electrochemical Study

2015 ◽  
Vol 54 (9) ◽  
pp. 4292-4302 ◽  
Author(s):  
Alexandr N. Simonov ◽  
John F. Boas ◽  
Melissa A. Skidmore ◽  
Craig M. Forsyth ◽  
Elena Mashkina ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electron Paramagnetic Resonance ◽  
Density Functional ◽  
Electrochemical Study ◽  
Paramagnetic Resonance ◽  
Functional Theory ◽  
Electron Paramagnetic
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