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ChargeTransport inDNA-
Insights fromSimulations
ZurErlangungdesakademischenGrades eines
DOKTORSDERNATURWISSENSCHAFTEN
(Dr. rer. nat.)
vonderFakultät fürChemieundBiowissenschaften
Karlsruher Institut fürTechnologie (KIT) -Universitätsbereich
genehmigte
DISSERTATION
von
MarioWolter
aus
Blankenburg (Harz)
Dekan: Prof. Dr.MartinBastmeyer
Referent: Prof. Dr.MarcusElstner
Korreferent: Prof. Dr.WolfgangWenzel
TagdermündlichenPrüfung: 19.07.2013
Charge Transport in DNA
Insights from Simulations
- Title
- Charge Transport in DNA
- Subtitle
- Insights from Simulations
- Author
- Mario Wolter
- Publisher
- KIT Scientific Publishing
- Date
- 2013
- Language
- English
- License
- CC BY-SA 3.0
- ISBN
- 978-3-7315-0082-7
- Size
- 17.0 x 24.0 cm
- Pages
- 156
- Keywords
- Charge Transport, Charge Transfer, DNA, Molecular Dynamics, Quantum Mechanics
- Categories
- Naturwissenschaften Chemie
Table of contents
- Zusammenfassung 1
- Summary 3
- 1 Introduction 5
- 2 TheoreticalBackground 11
- 3 SimulationSetup 39
- 4 DNAUnderExperimentalConditions 49
- 5 ChargeTransport inStretchedDNA 69
- 6 ChargeTransport inMicrohydratedDNA 79
- 7 AParametrizedModel toSimulateCT inDNA 89
- 8 Conclusion 105
- Appendix 111
- A DNAUnderExperimentalConditions 111
- B CTinMicrohydratedDNA 117
- List ofPublications 137