Retraction: Detailed Mössbauer Characterization of Fe2+Fur, the Active Form of the Ferric Uptake Regulation Protein from E. coli and Density Functional Calculations on Some Related Models

2009 ◽  
Vol 2009 (20) ◽  
pp. 2959-2966
Author(s):  
Olivier Horner ◽  
Jean-Louis Oddou ◽  
Claudine Jeandey ◽  
Isabelle Michaud-Soret ◽  
Jean-Marie Mouesca
Keyword(s):  
Density Functional Calculations ◽  
Density Functional ◽  
Active Form ◽  
E Coli

Chlorine in SiC: Experiment and Theory

2012 ◽  
Vol 717-720 ◽  
pp. 229-232
Author(s):  
Giovanni Alfieri ◽  
Tsunenobu Kimoto
Keyword(s):  
Carrier Concentration ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Electrical Characterization ◽  
Microscopic Structure ◽  
Annealing Study ◽  
P Type ◽  
Theoretical Results

An annealing study, in the 100-1400 C temperature range ,was carried out on Cl-implanted n- or p-type 4H-SiC epilayers. The electrical characterization of the epilayers shows the rise of several deep levels and the role of Cl, on both carrier concentration and defects' microscopic structure, is discussed in the light of theoretical results obtained by density functional calculations performed on a 64-atom cubic SiC supercell.

Characterization of a Genuine Iron(V)−Nitrido Species by Nuclear Resonant Vibrational Spectroscopy Coupled to Density Functional Calculations

2007 ◽  
Vol 129 (36) ◽  
pp. 11053-11060 ◽  
Author(s):  
Taras Petrenko ◽  
Serena DeBeer George ◽  
Núria Aliaga-Alcalde ◽  
Eckhard Bill ◽  
Bernd Mienert ◽  
...  
Keyword(s):  
Vibrational Spectroscopy ◽  
Density Functional Calculations ◽  
Density Functional
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