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Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations

Catalysis Electronic Structure - Methods

Publication Details

  • Authors: J. J. Wardzala, D.S. King, L. Ogunfowora, B. Savoie, and L. Gagliardi
  • Publication Number: 470
  • Year: 2024
  • Journal: ACS Cent. Sci.
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Full Citation

J. J. Wardzala, D.S. King, L. Ogunfowora, B. Savoie, and L. Gagliardi, Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations, ACS Cent. Sci, 2024, Article ASAP, DOI: 10.1021/acscentsci.3c01559