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Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals

Heck, A., Woiczikowski, P., Kubar, T., Welke, K., Niehaus, Thomas A., Giese, B., Skourtis, S. and Elstner, M. (2014) Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals. The Journal of Physical Chemistry B 118 (16), pp. 4261-4272.

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Abstract

Charge transfer in peptides and proteins can occur on different pathways, depending on the energetic landscape as well as the coupling between the involved orbitals. Since details of the mechanism and pathways are difficult to access experimentally, different modeling strategies have been successfully applied to study these processes in the past. These can be based on a simple empirical pathway ...

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Item type:Article
Date:21 March 2014
Institutions:Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Thomas Niehaus
Identification Number:
ValueType
10.1021/jp408907gDOI
Dewey Decimal Classification:500 Science > 530 Physics
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:30037
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