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21901
Molecular Charge Transport in Chemistry and Biology: An Introduction to the Theory Danish title: Molecular Charge Transport in Chemistry and Biology: An Introduction to the Theory
Language: Danish Credit points: 5,7
Type: Ph.D.-level, Open University
Language: Danish

Recommended semester: Late in program
Scope and form: 14 weekly sessions with one or two lectures followed by organized seminar/discussion.
Examination: Evaluation of report(s) (Pass/fail)
Remarks: Deadline 15. of January
Contact person: Jens Ulstrup, Building 207, Tel. +45 4525 2359, email ju@kemi.dtu.dk

Department: Department of Chemistry
Contents: Established and frontier elements of electron and atom group transfer in chemistry, biochemistry and biophysics. Topics to be chosen from:

1.The quantum mechanical tunnel effect in physical, chemical, and biological systems.
2.The liquid state of the environmental reaction medium.
3.The simplest chemical process - electron transfer: outer sphere electron transfer in inorganic and organic chemistry; dissociative electron transfer.
4.Towards preciser electron transfer theory: nuclear tunnelling; chemical processes at low temperatures; the diabatic and adiabatic limits.
5.Optical electronic processes and charge transfer spectroscopy.
6.Proton and atom group transfer: general acid and base catalysis, kinetic isotope effects.
7.The electrochemical process: the solid-liquid interface; electron transfer at metal and semiconductor electrodes; electron densities and electron tunnelling.
8.The notion of "long-range" electron transfer; intermediate states and intermediate matter; environmental dynamics and electron tunnelling.
9.Electron transfer in proteins and nucleic acids: molecular recognition; coherent processes; the photosynthetic apparatus; enzyme function and conformational dynamics.
10.Solvation and resolvation dynamics - the stochastic approach.
11.Perspectives and outlook: chemical nanostructures; molecular electronics; scanning probe microscopy, STM and AFM; ultrafast processes; charge transfer and phase transitions.