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Charge Transport in DNA - Insights from Simulations

dc.contributor.authorWolter, Mario*
dc.date.accessioned2021-02-11T09:43:51Z
dc.date.available2021-02-11T09:43:51Z
dc.date.issued2013*
dc.date.submitted2019-07-30 20:02:00*
dc.identifier35184*
dc.identifier.urihttps://directory.doabooks.org/handle/20.500.12854/43023
dc.description.abstractCharge transport and charge transfer (CT) capabilities of deoxyribonucleic acid (DNA) are investigated. A QM/MM multi-scale framework is applied to calculate the CT capabilities of DNA under conditions resembling the experimental setup. The simulations are able to explain and predict the outcome of experiments and therefore make suggestions in advance. Based on the findings, suitable DNA sequences can be opted for the design of DNA-based devices as nano-scale electronic elements.*
dc.languageEnglish*
dc.subjectQD1-999*
dc.subject.classificationthema EDItEUR::P Mathematics and Science::PN Chemistryen_US
dc.subject.otherCharge Transfer*
dc.subject.otherMolecular Dynamics*
dc.subject.otherCharge Transport*
dc.subject.otherQuantum Mechanics*
dc.subject.otherDNA*
dc.titleCharge Transport in DNA - Insights from Simulations*
dc.typebook
oapen.identifier.doi10.5445/KSP/1000036065*
oapen.relation.isPublishedBy68fffc18-8f7b-44fa-ac7e-0b7d7d979bd2*
oapen.relation.isbn9783731500827*
oapen.pagesVI, 139 p.*
peerreview.review.typeFull text
peerreview.anonymityAll identities known
peerreview.reviewer.typeInternal editor
peerreview.reviewer.typeExternal peer reviewer
peerreview.review.stagePre-publication
peerreview.open.reviewNo
peerreview.publish.responsibilityScientific or Editorial Board
peerreview.id8ad5c235-9810-49eb-b358-27c8675324d9
peerreview.titleDissertations (Dissertationen)


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