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Heck, A. ; Woiczikowski, P. ; Kubar, T. ; Welke, K. ; Niehaus, Thomas A. ; Giese, B. ; Skourtis, S. ; Elstner, M. ;

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., Elstner, M. and make_name_string expected hash reference (2014) Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals. The Journal of Physical Chemistry B 118 (16), pp. 4261-4272.

Date of publication of this fulltext: 28 May 2014 11:35
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Item typeArticle
Journal or Publication TitleThe Journal of Physical Chemistry B
Publisher:AMER CHEMICAL SOC
Place of Publication:WASHINGTON
Volume:118
Number of Issue or Book Chapter:16
Page Range:pp. 4261-4272
Date21 March 2014
InstitutionsPhysics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Thomas Niehaus
Identification Number
ValueType
10.1021/jp408907gDOI
KeywordsELECTRON-TRANSFER REACTIONS; DENSITY-FUNCTIONAL THEORY; MOLECULAR MECHANICAL METHODS; CYTOCHROME-C-OXIDASE; AB-INITIO; HOLE TRANSFER; STRUCTURAL FLUCTUATIONS; BIOLOGICAL MOLECULES; MATRIX-ELEMENTS; QM/MM METHODS;
Dewey Decimal Classification500 Science > 530 Physics
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgYes
Item ID30037

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