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- Title:
Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling values
- Author(s):
- Schober, Christoph; Reuter, Karsten; Oberhofer, Harald
- Journal title:
- The Journal of Chemical Physics
- Year:
- 2016
- Journal volume:
- 144
- Journal issue:
- 5
- Pages contribution:
- 054103
- Fulltext / DOI:
- doi:10.1063/1.4940920
- Publisher:
- AIP Publishing
- E-ISSN:
- 0021-96061089-7690
- Date of publication:
- 07.02.2016
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