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Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods

Catalysis Electronic Structure - Methods

Publication Details

  • Authors: M. Mandal, M. R. Hermes, F. Berger, J. Sauer, and L. Gagliardi
  • Publication Number: 503
  • Year: 2025
  • Journal: J. Phys. Chem. C
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Full Citation

M. Mandal, M. R. Hermes, F. Berger, J. Sauer, and L. Gagliardi, Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods, J. Phys. Chem. C, 2025, 129, 14418–14429. DOI: 10.1021/acs.jpcc.5c04695