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Copyrights andPermissions
Chapter 4 is reproduced in part with permission from M. Wolter, M. Elstner,
T. Kubarˇ, J. Phys. Chem. A, 2011, 115 (41), 11238–11247. Copyright 2011American
Chemical Society.
Chapter5 isreproducedinpartwithpermissionfromM.Wolter,P.B.Woiczikowski,
M. Elstner, and T. Kubarˇ, Phys. Rev. B, 85, 075101 (2012). Copyright 2012 by the
AmericanPhysical Society.
Chapter 6 is reproduced in partwith permission fromM.Wolter, M. Elstner, and
T.Kubarˇ, J. Chem. Phys., 139, 125102 (2013). Copyright 2013, American Institute of
Physics.
Charge Transport in DNA
Insights from Simulations
- Titel
- Charge Transport in DNA
- Untertitel
- Insights from Simulations
- Autor
- Mario Wolter
- Verlag
- KIT Scientific Publishing
- Datum
- 2013
- Sprache
- englisch
- Lizenz
- CC BY-SA 3.0
- ISBN
- 978-3-7315-0082-7
- Abmessungen
- 17.0 x 24.0 cm
- Seiten
- 156
- Schlagwörter
- Charge Transport, Charge Transfer, DNA, Molecular Dynamics, Quantum Mechanics
- Kategorien
- Naturwissenschaften Chemie
Inhaltsverzeichnis
- 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