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Finding the Reactive Electron in Paramagnetic Systems: A Critical Evaluation of Accuracies for EPR Spectroscopy and Density Functional Theory Using 1,3,5-Triphenyl Verdazyl Radical as a Testcase
Authors: Barilone, Jessica L.; Neese, Frank; van Gastel, Maurice
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Applied Magnetic Resonance
Volume: 46
Issue / Number: 2
Start Page: 117
End Page: 139
Document Type: Article
ID: 712714.0
Structural differences between the active sites of the Ni-A and Ni-B states of the [NiFe] hydrogenase: an approach by quantum chemistry and single crystal ENDOR spectroscopy
Authors: Barilone, Jessica L.; Ogata, Hideaki; Lubitz, Wolfgang; van Gastel, Maurice
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Physical Chemistry Chemical Physics
Volume: 17
Issue / Number: 24
Start Page: 16204
End Page: 16212
Document Type: Article
ID: 712715.0
Entries: 1-2  
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