Density Functional Theory Calculations of Electron Paramagnetic Resonance Parameters of a Nitroxide Spin Label in Tissue Factor and Factor VIIa Protein Complex

2002 ◽  
Vol 106 (47) ◽  
pp. 12354-12360 ◽  
Author(s):  
Maria Engström ◽  
Juha Vaara ◽  
Bernd Schimmelpfennig ◽  
Hans Ågren
Keyword(s):  
Density Functional Theory ◽  
Electron Paramagnetic Resonance ◽  
Protein Complex ◽  
Spin Label ◽  
Density Functional ◽  
Factor Viia ◽  
Density Functional Theory Calculations ◽  
Paramagnetic Resonance ◽  
Functional Theory ◽  
Electron Paramagnetic

The Interplay of manganese and nitrate in hydroxyapatite nanoparticles as revealed by pulsed EPR and DFT

2015 ◽  
Vol 17 (31) ◽  
pp. 20331-20337 ◽  
Author(s):  
Marat Gafurov ◽  
Timur Biktagirov ◽  
Georgy Mamin ◽  
Elena Klimashina ◽  
Valery Putlayev ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Hydroxyapatite Nanoparticles ◽  
Paramagnetic Resonance ◽  
Functional Theory ◽  
Pulsed Epr ◽  
Pulsed Electron Paramagnetic Resonance ◽  
Electron Paramagnetic ◽  
Oppositely Charged

The interplay of oppositely charged substitutions in the structure of hydroxyapatite nanopowders is investigated by pulsed electron paramagnetic resonance and ab initio density functional theory calculations.

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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