Bridging the Gap Between the Theoretical and Empirical Reorganization Energy

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atmire.migration.oldid4121
dc.contributor.advisorSanders, Barry
dc.contributor.advisorSalahub, Dennis
dc.contributor.authorJohannes, Jonathan
dc.contributor.committeememberNoskov, Sergei
dc.contributor.committeememberWieser, Michael
dc.contributor.committeememberRauk, Arvi
dc.date.accessioned2016-01-29T22:40:10Z
dc.date.available2016-01-29T22:40:10Z
dc.date.issued2016-01-29
dc.date.submitted2016en
dc.description.abstractBiological electron transfer (ET) reactions are fundamental to the production of energy in all living cells. Efficient, site-selective ET is crucial for effective metabolic processes to sustain life. An accurate description of the ET process through a protein complex is lacking. In particular, with the methylamine dehydrogenase (MADH) and amicyanin protein complex there is a discrepancy between the theoretical and the empirical reorganization energy. Attempts at better understanding the reorganization energy of reaction involve adapting Marcus theory, the standard for simple ET reactions, by describing the reorganization energy with a two-parameter model. In this thesis I apply the two-parameter model to the MADH-amicyanin system. It does not reconcile the discrepancy between the theoretical and empirical reorganization energy. The results of this work provide insight, consistent with other systems onto which the two-parameter has been applied, into why Marcus theory breaks down.en_US
dc.identifier.citationJohannes, J. (2016). Bridging the Gap Between the Theoretical and Empirical Reorganization Energy (Master's thesis, University of Calgary, Calgary, Canada). Retrieved from https://prism.ucalgary.ca. doi:10.11575/PRISM/25165en_US
dc.identifier.doihttp://dx.doi.org/10.11575/PRISM/25165
dc.identifier.urihttp://hdl.handle.net/11023/2801
dc.language.isoeng
dc.publisher.facultyGraduate Studies
dc.publisher.institutionUniversity of Calgaryen
dc.publisher.placeCalgaryen
dc.rightsUniversity of Calgary graduate students retain copyright ownership and moral rights for their thesis. You may use this material in any way that is permitted by the Copyright Act or through licensing that has been assigned to the document. For uses that are not allowable under copyright legislation or licensing, you are required to seek permission.
dc.subjectPhysics--Molecular
dc.subject.classificationelectron transferen_US
dc.subject.classificationmarcus theoryen_US
dc.subject.classificationprotein complexen_US
dc.subject.classificationmolecular simulationsen_US
dc.titleBridging the Gap Between the Theoretical and Empirical Reorganization Energy
dc.typemaster thesis
thesis.degree.disciplinePhysics and Astronomy
thesis.degree.grantorUniversity of Calgary
thesis.degree.nameMaster of Science (MSc)
ucalgary.item.requestcopytrue
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