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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: 500
  • Year: 2025
  • Journal: ChemRxiv
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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, ChemRxiv, 2025. DOI: 10.26434/chemrxiv-2025-4r3vx