The electronic and geometric structure of [NiFe] hydrogenases studied by theoretical spectroscopy

dc.contributor.advisor	Neese, Frank
dc.contributor.author	Kampa, Mario
dc.date.accessioned	2020-04-18T19:54:49Z
dc.date.available	2020-04-18T19:54:49Z
dc.date.issued	07.05.2013
dc.identifier.uri	https://hdl.handle.net/20.500.11811/5679
dc.description.abstract	[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 [NiFe] hydrogenase by comparison of computed with experimental data in particular of magnetochemical properties.	en
dc.language.iso	eng
dc.rights	In Copyright
dc.rights.uri	http://rightsstatements.org/vocab/InC/1.0/
dc.subject	[NiFe] hydrogenase
dc.subject	DFT
dc.subject	EPR
dc.subject	ENDOR
dc.subject	elektronische Struktur
dc.subject	electronic structure
dc.subject.ddc	540 Chemie
dc.title	The electronic and geometric structure of [NiFe] hydrogenases studied by theoretical spectroscopy
dc.type	Dissertation oder Habilitation
dc.publisher.name	Universitäts- und Landesbibliothek Bonn
dc.publisher.location	Bonn
dc.rights.accessRights	openAccess
dc.identifier.urn	https://nbn-resolving.org/urn:nbn:de:hbz:5n-31996
ulbbn.pubtype	Erstveröffentlichung
ulbbnediss.affiliation.name	Rheinische Friedrich-Wilhelms-Universität Bonn
ulbbnediss.affiliation.location	Bonn
ulbbnediss.thesis.level	Dissertation
ulbbnediss.dissID	3199
ulbbnediss.date.accepted	20.03.2013
ulbbnediss.fakultaet	Mathematisch-Naturwissenschaftliche Fakultät
dc.contributor.coReferee	Bredow, Thomas

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