Spin-Crossing in the (Z)-Selective Alkyne Semihydrogenation Mechanism Catalyzed by Mo3S4 Clusters: A Density Functional Theory Exploration

  1. Gutiérrez-Blanco, M.
  2. Algarra, A.G.
  3. Guillamón, E.
  4. Fernández-Trujillo, M.J.
  5. Oliva, M.
  6. Basallote, M.G.
  7. Llusar, R.
  8. Safont, V.S.
Journal:
Inorganic chemistry

ISSN: 1520-510X

Year of publication: 2024

Volume: 63

Issue: 2

Pages: 1000-1009

Type: Article

DOI: 10.1021/ACS.INORGCHEM.3C03057 GOOGLE SCHOLAR lock_openOpen access editor