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- Title:
Evaluation of density functionals for elementary steps of selective oxidation reactions
- Author(s):
- Dinda, Shrabani; Chiu, Cheng-chau; Genest, Alexander; Rösch, Notker
- Journal title:
- Computational and Theoretical Chemistry
- Year:
- 2017
- Journal volume:
- 1101
- Pages contribution:
- 36-45
- Fulltext / DOI:
- doi:10.1016/j.comptc.2016.12.021
- Publisher:
- Elsevier BV
- E-ISSN:
- 2210-271X
- Date of publication:
- 01.02.2017
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