E-Dissertationen: Browsing E-Dissertationen by Author "Kampa, Mario"
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The electronic and geometric structure of [NiFe] hydrogenases studied by theoretical spectroscopy
Kampa, Mario (2013-05-07)[NiFe] hydrogenases catalyze the reversible oxidative cleavage of molecular hydrogen at high rates. In the present study, DFT was employed to investigate the geometric and electronic structure of various redox-states of ...